(2-chloro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone

C14H18ClNO — CID 885823

IUPAC(2-chloro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(C)CC2)c(Cl)c1
InChIInChI=1S/C14H18ClNO/c1-10-5-7-16(8-6-10)14(17)12-4-3-11(2)9-13(12)15/h3-4,9-10H,5-8H2,1-2H3
InChIKeyXAHMBHLIQYGYQV-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.52
Rot. Bonds1

About (2-chloro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone

(2-chloro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 885823) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
PubChem CID885823
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name(2-chloro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(C)CC2)c(Cl)c1
InChIInChI=1S/C14H18ClNO/c1-10-5-7-16(8-6-10)14(17)12-4-3-11(2)9-13(12)15/h3-4,9-10H,5-8H2,1-2H3
InChIKeyXAHMBHLIQYGYQV-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2-chloro-4-methylphenyl)-(4-methylpiperidin-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

(2-chloro-4-methylphenyl)-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 106864067
1-(2-chloro-4-methylbenzoyl)piperidine-4-carbothioamide
CID 106861309
N-[3-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 46772956
(2-fluoro-5-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 62510549
[4-(2-chloroethoxy)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
CID 106863992
[4-(2-bromoethoxy)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
CID 106863993
(4-amino-3-ethylpiperidin-1-yl)-(2-chloro-4-methylphenyl)methanone
CID 106862298
(4-chloro-6-methyl-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 81225286
N-[3-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide
CID 53278229
(2-chloro-4-methylphenyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 885739
(2-hydroxy-5-methylphenyl)-(4-methylazepan-1-yl)methanone
CID 62045285
3-[1-(2-chloro-4-methylbenzoyl)pyrrolidin-3-yl]propanoic acid
CID 106860665

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-chloro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone (CID 885823) is (2-chloro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-chloro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone is Cc1ccc(C(=O)N2CCC(C)CC2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is XAHMBHLIQYGYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-10-5-7-16(8-6-10)14(17)12-4-3-11(2)9-13(12)15/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of (2-chloro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone?
(2-chloro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 251.76 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 885823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).