[(4S)-4-(4-chlorophenyl)-1-methylpiperidin-2-yl]methanol

C13H18ClNO — CID 70192862

IUPAC[(4S)-4-(4-chlorophenyl)-1-methylpiperidin-2-yl]methanol
SMILESCN1CC[C@H](c2ccc(Cl)cc2)CC1CO
InChIInChI=1S/C13H18ClNO/c1-15-7-6-11(8-13(15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3/t11-,13?/m0/s1
InChIKeyHJMYNIORVKHXRC-AMGKYWFPSA-N
MW239.75 g/mol
LogP2.51
Rot. Bonds2

About [(4S)-4-(4-chlorophenyl)-1-methylpiperidin-2-yl]methanol

[(4S)-4-(4-chlorophenyl)-1-methylpiperidin-2-yl]methanol (PubChem CID 70192862) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is [(4S)-4-(4-chlorophenyl)-1-methylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[(4S)-4-(4-chlorophenyl)-1-methylpiperidin-2-yl]methanol
PubChem CID70192862
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name[(4S)-4-(4-chlorophenyl)-1-methylpiperidin-2-yl]methanol
SMILESCN1CC[C@H](c2ccc(Cl)cc2)CC1CO
InChIInChI=1S/C13H18ClNO/c1-15-7-6-11(8-13(15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3/t11-,13?/m0/s1
InChIKeyHJMYNIORVKHXRC-AMGKYWFPSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(4S)-4-(4-chlorophenyl)-1-methylpiperidin-2-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

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-(4-chlorophenyl)-1-methylpiperidin-2-yl]methanol?
The IUPAC name of [(4S)-4-(4-chlorophenyl)-1-methylpiperidin-2-yl]methanol (CID 70192862) is [(4S)-4-(4-chlorophenyl)-1-methylpiperidin-2-yl]methanol.
What is the SMILES notation for [(4S)-4-(4-chlorophenyl)-1-methylpiperidin-2-yl]methanol?
The canonical SMILES for [(4S)-4-(4-chlorophenyl)-1-methylpiperidin-2-yl]methanol is CN1CC[C@H](c2ccc(Cl)cc2)CC1CO.
What is the InChIKey of [(4S)-4-(4-chlorophenyl)-1-methylpiperidin-2-yl]methanol?
The InChIKey is HJMYNIORVKHXRC-AMGKYWFPSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-15-7-6-11(8-13(15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3/t11-,13?/m0/s1.
What are the key properties of [(4S)-4-(4-chlorophenyl)-1-methylpiperidin-2-yl]methanol?
[(4S)-4-(4-chlorophenyl)-1-methylpiperidin-2-yl]methanol has a molecular weight of 239.75 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-(4-chlorophenyl)-1-methylpiperidin-2-yl]methanol is sourced from PubChem (CID 70192862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).