(3-chloro-4-phenylphenyl)-(1-pyrimidin-2-ylpiperidin-4-yl)methanol

C22H22ClN3O — CID 68807143

IUPAC(3-chloro-4-phenylphenyl)-(1-pyrimidin-2-ylpiperidin-4-yl)methanol
SMILESOC(c1ccc(-c2ccccc2)c(Cl)c1)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H22ClN3O/c23-20-15-18(7-8-19(20)16-5-2-1-3-6-16)21(27)17-9-13-26(14-10-17)22-24-11-4-12-25-22/h1-8,11-12,15,17,21,27H,9-10,13-14H2
InChIKeyJZRXDXQFMBHOGB-UHFFFAOYSA-N
MW379.89 g/mol
LogP4.75
Rot. Bonds4

About (3-chloro-4-phenylphenyl)-(1-pyrimidin-2-ylpiperidin-4-yl)methanol

(3-chloro-4-phenylphenyl)-(1-pyrimidin-2-ylpiperidin-4-yl)methanol (PubChem CID 68807143) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is (3-chloro-4-phenylphenyl)-(1-pyrimidin-2-ylpiperidin-4-yl)methanol.

Molecular Properties

Compound Name(3-chloro-4-phenylphenyl)-(1-pyrimidin-2-ylpiperidin-4-yl)methanol
PubChem CID68807143
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC Name(3-chloro-4-phenylphenyl)-(1-pyrimidin-2-ylpiperidin-4-yl)methanol
SMILESOC(c1ccc(-c2ccccc2)c(Cl)c1)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H22ClN3O/c23-20-15-18(7-8-19(20)16-5-2-1-3-6-16)21(27)17-9-13-26(14-10-17)22-24-11-4-12-25-22/h1-8,11-12,15,17,21,27H,9-10,13-14H2
InChIKeyJZRXDXQFMBHOGB-UHFFFAOYSA-N
XLogP4.75
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-chloro-4-phenylphenyl)-(1-pyrimidin-2-ylpiperidin-4-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 (3-chloro-4-phenylphenyl)-(1-pyrimidin-2-ylpiperidin-4-yl)methanol?
The IUPAC name of (3-chloro-4-phenylphenyl)-(1-pyrimidin-2-ylpiperidin-4-yl)methanol (CID 68807143) is (3-chloro-4-phenylphenyl)-(1-pyrimidin-2-ylpiperidin-4-yl)methanol.
What is the SMILES notation for (3-chloro-4-phenylphenyl)-(1-pyrimidin-2-ylpiperidin-4-yl)methanol?
The canonical SMILES for (3-chloro-4-phenylphenyl)-(1-pyrimidin-2-ylpiperidin-4-yl)methanol is OC(c1ccc(-c2ccccc2)c(Cl)c1)C1CCN(c2ncccn2)CC1.
What is the InChIKey of (3-chloro-4-phenylphenyl)-(1-pyrimidin-2-ylpiperidin-4-yl)methanol?
The InChIKey is JZRXDXQFMBHOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O/c23-20-15-18(7-8-19(20)16-5-2-1-3-6-16)21(27)17-9-13-26(14-10-17)22-24-11-4-12-25-22/h1-8,11-12,15,17,21,27H,9-10,13-14H2.
What are the key properties of (3-chloro-4-phenylphenyl)-(1-pyrimidin-2-ylpiperidin-4-yl)methanol?
(3-chloro-4-phenylphenyl)-(1-pyrimidin-2-ylpiperidin-4-yl)methanol has a molecular weight of 379.89 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-phenylphenyl)-(1-pyrimidin-2-ylpiperidin-4-yl)methanol is sourced from PubChem (CID 68807143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).