(4-chloro-3-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

C15H20ClNO2 — CID 112706030

IUPAC(4-chloro-3-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(CCO)C2)ccc1Cl
InChIInChI=1S/C15H20ClNO2/c1-11-9-13(4-5-14(11)16)15(19)17-7-2-3-12(10-17)6-8-18/h4-5,9,12,18H,2-3,6-8,10H2,1H3
InChIKeyQJGMJJKUUULBCA-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.88
Rot. Bonds3

About (4-chloro-3-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

(4-chloro-3-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 112706030) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID112706030
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name(4-chloro-3-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(CCO)C2)ccc1Cl
InChIInChI=1S/C15H20ClNO2/c1-11-9-13(4-5-14(11)16)15(19)17-7-2-3-12(10-17)6-8-18/h4-5,9,12,18H,2-3,6-8,10H2,1H3
InChIKeyQJGMJJKUUULBCA-UHFFFAOYSA-N
XLogP2.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-chloro-3-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone 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

[3-(2-hydroxyethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 103957620
[3-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 112701234
(3-chloro-4-hydroxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62371633
(3,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372685
2-(4-chloro-3-methylphenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62356775
(2,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62371472
[3-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 112701263
[(3R)-3-aminopyrrolidin-1-yl]-(4-chloro-3-methylphenyl)methanone;hydrochloride
CID 119413588
(2,4-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62373006
[3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 63767469
(4-chloro-3-methylphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone
CID 99932218
(2-amino-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228705

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-chloro-3-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 112706030) is (4-chloro-3-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-3-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-3-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCCC(CCO)C2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is QJGMJJKUUULBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-11-9-13(4-5-14(11)16)15(19)17-7-2-3-12(10-17)6-8-18/h4-5,9,12,18H,2-3,6-8,10H2,1H3.
What are the key properties of (4-chloro-3-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
(4-chloro-3-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 281.78 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 112706030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).