1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-ol

C17H19ClN2O — CID 56672229

IUPAC1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-ol
SMILESOC1CCN(C(c2ccc(Cl)cc2)c2cccnc2)CC1
InChIInChI=1S/C17H19ClN2O/c18-15-5-3-13(4-6-15)17(14-2-1-9-19-12-14)20-10-7-16(21)8-11-20/h1-6,9,12,16-17,21H,7-8,10-11H2
InChIKeyKHCODUOXAXLWGY-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.28
Rot. Bonds3

About 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-ol

1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-ol (PubChem CID 56672229) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-ol
PubChem CID56672229
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-ol
SMILESOC1CCN(C(c2ccc(Cl)cc2)c2cccnc2)CC1
InChIInChI=1S/C17H19ClN2O/c18-15-5-3-13(4-6-15)17(14-2-1-9-19-12-14)20-10-7-16(21)8-11-20/h1-6,9,12,16-17,21H,7-8,10-11H2
InChIKeyKHCODUOXAXLWGY-UHFFFAOYSA-N
XLogP3.28
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-ol 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 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-ol?
The IUPAC name of 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-ol (CID 56672229) is 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-ol.
What is the SMILES notation for 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-ol?
The canonical SMILES for 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-ol is OC1CCN(C(c2ccc(Cl)cc2)c2cccnc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-ol?
The InChIKey is KHCODUOXAXLWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-15-5-3-13(4-6-15)17(14-2-1-9-19-12-14)20-10-7-16(21)8-11-20/h1-6,9,12,16-17,21H,7-8,10-11H2.
What are the key properties of 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-ol?
1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-ol has a molecular weight of 302.81 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-ol is sourced from PubChem (CID 56672229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).