(3S)-1-(cyclopentylmethyl)-3-(4-phenylphenyl)piperidin-3-ol

C23H29NO — CID 155405702

IUPAC(3S)-1-(cyclopentylmethyl)-3-(4-phenylphenyl)piperidin-3-ol
SMILESO[C@]1(c2ccc(-c3ccccc3)cc2)CCCN(CC2CCCC2)C1
InChIInChI=1S/C23H29NO/c25-23(15-6-16-24(18-23)17-19-7-4-5-8-19)22-13-11-21(12-14-22)20-9-2-1-3-10-20/h1-3,9-14,19,25H,4-8,15-18H2/t23-/m1/s1
InChIKeyBCJIWFGIOHTMBZ-HSZRJFAPSA-N
MW335.49 g/mol
LogP4.83
Rot. Bonds4

About (3S)-1-(cyclopentylmethyl)-3-(4-phenylphenyl)piperidin-3-ol

(3S)-1-(cyclopentylmethyl)-3-(4-phenylphenyl)piperidin-3-ol (PubChem CID 155405702) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is (3S)-1-(cyclopentylmethyl)-3-(4-phenylphenyl)piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(cyclopentylmethyl)-3-(4-phenylphenyl)piperidin-3-ol
PubChem CID155405702
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name(3S)-1-(cyclopentylmethyl)-3-(4-phenylphenyl)piperidin-3-ol
SMILESO[C@]1(c2ccc(-c3ccccc3)cc2)CCCN(CC2CCCC2)C1
InChIInChI=1S/C23H29NO/c25-23(15-6-16-24(18-23)17-19-7-4-5-8-19)22-13-11-21(12-14-22)20-9-2-1-3-10-20/h1-3,9-14,19,25H,4-8,15-18H2/t23-/m1/s1
InChIKeyBCJIWFGIOHTMBZ-HSZRJFAPSA-N
XLogP4.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-1-(cyclopentylmethyl)-3-(4-phenylphenyl)piperidin-3-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 (3S)-1-(cyclopentylmethyl)-3-(4-phenylphenyl)piperidin-3-ol?
The IUPAC name of (3S)-1-(cyclopentylmethyl)-3-(4-phenylphenyl)piperidin-3-ol (CID 155405702) is (3S)-1-(cyclopentylmethyl)-3-(4-phenylphenyl)piperidin-3-ol.
What is the SMILES notation for (3S)-1-(cyclopentylmethyl)-3-(4-phenylphenyl)piperidin-3-ol?
The canonical SMILES for (3S)-1-(cyclopentylmethyl)-3-(4-phenylphenyl)piperidin-3-ol is O[C@]1(c2ccc(-c3ccccc3)cc2)CCCN(CC2CCCC2)C1.
What is the InChIKey of (3S)-1-(cyclopentylmethyl)-3-(4-phenylphenyl)piperidin-3-ol?
The InChIKey is BCJIWFGIOHTMBZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H29NO/c25-23(15-6-16-24(18-23)17-19-7-4-5-8-19)22-13-11-21(12-14-22)20-9-2-1-3-10-20/h1-3,9-14,19,25H,4-8,15-18H2/t23-/m1/s1.
What are the key properties of (3S)-1-(cyclopentylmethyl)-3-(4-phenylphenyl)piperidin-3-ol?
(3S)-1-(cyclopentylmethyl)-3-(4-phenylphenyl)piperidin-3-ol has a molecular weight of 335.49 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(cyclopentylmethyl)-3-(4-phenylphenyl)piperidin-3-ol is sourced from PubChem (CID 155405702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).