[(3S,4S)-4-(4-fluorophenyl)piperidin-3-yl]methanol

C12H16FNO — CID 25417192

IUPAC[(3S,4S)-4-(4-fluorophenyl)piperidin-3-yl]methanol
SMILESOC[C@@H]1CNCC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c13-11-3-1-9(2-4-11)12-5-6-14-7-10(12)8-15/h1-4,10,12,14-15H,5-8H2/t10-,12+/m0/s1
InChIKeyIBOPBHBOBJYXTD-CMPLNLGQSA-N
MW209.26 g/mol
LogP1.51
Rot. Bonds2

About [(3S,4S)-4-(4-fluorophenyl)piperidin-3-yl]methanol

[(3S,4S)-4-(4-fluorophenyl)piperidin-3-yl]methanol (PubChem CID 25417192) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is [(3S,4S)-4-(4-fluorophenyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-4-(4-fluorophenyl)piperidin-3-yl]methanol
PubChem CID25417192
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name[(3S,4S)-4-(4-fluorophenyl)piperidin-3-yl]methanol
SMILESOC[C@@H]1CNCC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c13-11-3-1-9(2-4-11)12-5-6-14-7-10(12)8-15/h1-4,10,12,14-15H,5-8H2/t10-,12+/m0/s1
InChIKeyIBOPBHBOBJYXTD-CMPLNLGQSA-N
XLogP1.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(3S,4S)-4-(4-fluorophenyl)piperidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Benzyl-4-piperidinol
CID 98152
(-)-trans-4-(4'-Fluorophenyl)-3-hydroxymethyl-N-methylpiperidine
CID 2734218
4-Phenylpiperidine-4-methanol
CID 77896
(3S,4R)-4-(4-Fluorophenyl)-3-piperidinemethanol
CID 9855829
4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
CID 10176880
Threo-ritalinol hydrochloride
CID 10726933
(+/-)-threo-3-Fluororitalinol
CID 52947218
(4-Fluorophenyl)(piperidin-4-yl)methanol
CID 4778266
(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethanol;hydrochloride
CID 16719764
[4-(4-Chloro-phenyl)-piperidin-3-yl]-methanol
CID 44337772
(3R,4S,5R,6R)-5-(hydroxymethyl)-6-(2-phenylethyl)piperidine-3,4-diol
CID 145991014
[3-(2-Fluorobenzyl)-1-(2-phenylethyl)piperidin-3-yl]methanol
CID 23723607

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-(4-fluorophenyl)piperidin-3-yl]methanol?
The IUPAC name of [(3S,4S)-4-(4-fluorophenyl)piperidin-3-yl]methanol (CID 25417192) is [(3S,4S)-4-(4-fluorophenyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S,4S)-4-(4-fluorophenyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S,4S)-4-(4-fluorophenyl)piperidin-3-yl]methanol is OC[C@@H]1CNCC[C@@H]1c1ccc(F)cc1.
What is the InChIKey of [(3S,4S)-4-(4-fluorophenyl)piperidin-3-yl]methanol?
The InChIKey is IBOPBHBOBJYXTD-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H16FNO/c13-11-3-1-9(2-4-11)12-5-6-14-7-10(12)8-15/h1-4,10,12,14-15H,5-8H2/t10-,12+/m0/s1.
What are the key properties of [(3S,4S)-4-(4-fluorophenyl)piperidin-3-yl]methanol?
[(3S,4S)-4-(4-fluorophenyl)piperidin-3-yl]methanol has a molecular weight of 209.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-(4-fluorophenyl)piperidin-3-yl]methanol is sourced from PubChem (CID 25417192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).