[(3S,4R)-4-(4-Fluorophenyl)-1-methyl-3-piperidinyl]methanol

Basic Information

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CAS Number

105812-81-5

Molecular Formula

C13H18FNO

Molecular Weight

223.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

98.0 to 102.0 deg-C

Boiling Point

300.3℃ at 760 mmHg

Density

1.1±0.1 g/cm3

Flash Point

135.4℃

Refractive Index

1.518

Vapor Pressure

0.0±0.7 mmHg at 25°C

Specific Rotation

-38 º (c=1, MeOH)

SMILES

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CN1CCC(C(C1)CO)C2=CC=C(C=C2)F

InChI

InChI=1S/C13H18FNO/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3/t11-,13-/m0/s1

InChIKey

CXRHUYYZISIIMT-AAEUAGOBSA-N

LogP

1.8533

Topological Polar Surface Area

23.47 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

216

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H318 Causes serious eye damage
Serious eye damage/eye irritation

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 9 Class 9

Synonyms & References

English

DTXSID701335734
[(3S,4R)-4-(4-fluorophenyl)-1-methyl-3-piperidyl]methanol
DTXSID90909750
J-513513
(3S,4R)-4-(4-Fluorophenyl)-1-methyl-3-piperidinemethanol
(3S,4R)-4-(4-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine, AldrichCPR
CS-W003303
SCHEMBL1944023
(-)-trans-4-(4-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
AC-8186
AKOS015853527
PAROXOL, TRANS-(-)-
(-)-Paroxol
AC-16240
(+/-)-trans-[4-(4-fluorophenyl)-1-methyl-piperidin-3-yl]-methanol
(-)TRANS-4R-(4-FLUOROPHENYL)-3S-HYDROXYMETHYL-1-METHYLPIPERIDINE
Paroxol 1.0 mg/ml in Methanol
109887-53-8
AKOS015895971
UNII-IDR7471BR7
CXRHUYYZISIIMT-AAEUAGOBSA-N
rac-trans Paroxol
4-(4'-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine, (-)-trans-
3-Piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, (3S,4R)-
(-)-trans-4-(4'-fluorophenyl)-3-hydroxymethyl-N-methylpiperidine
[(3S,4R)-4-(4-Fluorophenyl)-1-methylpiperidin-3-yl]methanol; BRL-42496; Paroxetine Stage 3B intermediate; BRL 29226AD
(+/-)-PAROXOL
(-)-trans-4-(4'-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
(+/-) trans-4-(4'-fluorophenyl)-3-hydroxymethyl-N-methylpiperidine
3-PIPERIDINEMETHANOL, 4-(4-FLUOROPHENYL)-1-METHYL-, (3S-TRANS)-
TRANS-(4R,3S)-4-(4-FLUOROPHENYL)-3-HYDROXYMETHYL-1-METHYLPIPERIDINE

MDL Number

MFCD06658161

FAQ

What is [(3S,4R)-4-(4-Fluorophenyl)-1-methyl-3-piperidinyl]methanol (CAS: 105812-81-5)?

[(3S,4R)-4-(4-Fluorophenyl)-1-methyl-3-piperidinyl]methanol, with CAS number 105812-81-5, is a chiral organic compound characterized by its piperidine ring structure. It contains a hydroxyl group and a fluorophenyl substituent, making it an important intermediate in pharmaceutical and chemical research. The compound is typically used in the synthesis of various drugs and is known for its specific stereochemistry, which influences its biological activity.

What are the main uses of [(3S,4R)-4-(4-Fluorophenyl)-1-methyl-3-piperidinyl]methanol (CAS: 105812-81-5)?

[(3S,4R)-4-(4-Fluorophenyl)-1-methyl-3-piperidinyl]methanol (CAS: 105812-81-5) is primarily used in pharmaceutical research as a key intermediate for synthesizing drugs with specific stereochemical configurations. It may also find applications in organic synthesis and chemical manufacturing. Due to its structural versatility, it is of interest in the development of new therapeutic agents and compounds with potential biological activity.

Is [(3S,4R)-4-(4-Fluorophenyl)-1-methyl-3-piperidinyl]methanol (CAS: 105812-81-5) safe?

[(3S,4R)-4-(4-Fluorophenyl)-1-methyl-3-piperidinyl]methanol (CAS: 105812-81-5) is generally considered safe when handled properly in controlled environments. However, as a chemical compound, it should be treated with caution, and appropriate safety measures such as gloves, goggles, and ventilation should be used. Its toxicity profile is not well-documented, but standard chemical safety protocols are recommended for its use and storage.

How should [(3S,4R)-4-(4-Fluorophenyl)-1-methyl-3-piperidinyl]methanol (CAS: 105812-81-5) be stored?

[(3S,4R)-4-(4-Fluorophenyl)-1-methyl-3-piperidinyl]methanol (CAS: 105812-81-5) should be stored in a cool, dry, and dark place to maintain its stability. It is recommended to keep it in a sealed container away from moisture and air exposure. Proper storage conditions help prevent degradation and ensure the compound remains effective for its intended applications.