(5-chloro-2-methoxy-4-methylphenyl)-piperidin-1-ylmethanone

C14H18ClNO2 — CID 110762027

IUPAC(5-chloro-2-methoxy-4-methylphenyl)-piperidin-1-ylmethanone
SMILESCOc1cc(C)c(Cl)cc1C(=O)N1CCCCC1
InChIInChI=1S/C14H18ClNO2/c1-10-8-13(18-2)11(9-12(10)15)14(17)16-6-4-3-5-7-16/h8-9H,3-7H2,1-2H3
InChIKeyKGQJTLQOOLJEGI-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.28
Rot. Bonds2

About (5-chloro-2-methoxy-4-methylphenyl)-piperidin-1-ylmethanone

(5-chloro-2-methoxy-4-methylphenyl)-piperidin-1-ylmethanone (PubChem CID 110762027) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is (5-chloro-2-methoxy-4-methylphenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(5-chloro-2-methoxy-4-methylphenyl)-piperidin-1-ylmethanone
PubChem CID110762027
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name(5-chloro-2-methoxy-4-methylphenyl)-piperidin-1-ylmethanone
SMILESCOc1cc(C)c(Cl)cc1C(=O)N1CCCCC1
InChIInChI=1S/C14H18ClNO2/c1-10-8-13(18-2)11(9-12(10)15)14(17)16-6-4-3-5-7-16/h8-9H,3-7H2,1-2H3
InChIKeyKGQJTLQOOLJEGI-UHFFFAOYSA-N
XLogP3.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5-chloro-2-methoxy-4-methylphenyl)-piperidin-1-ylmethanone 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

(4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110465007
1-[4-(5-chloro-2-methoxy-4-methylbenzoyl)-1,4-diazepan-1-yl]butan-1-one
CID 110806015
4-(5-chloro-2-methoxy-4-methylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 110812493
1-[4-(5-chloro-2-methoxy-4-methylbenzoyl)-1,4-diazepan-1-yl]-3-methylbutan-1-one
CID 110806881
1-[4-(5-chloro-2-methoxy-4-methylbenzoyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 110801762
1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylethanone
CID 82053056
1,4-diazepan-1-yl-(2,5-dimethoxy-4-methylphenyl)methanone
CID 95482231
cyclopentyl-[4-(2-methoxy-4,5-dimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807493
(2-chloro-5-methoxyphenyl)-piperidin-1-ylmethanone
CID 164894070
[2-methoxy-5-methyl-4-(propylamino)phenyl]-piperidin-1-ylmethanone
CID 166887049
(4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 78988655
1-[4-(4,5-dimethoxy-2-methylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110805556

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxy-4-methylphenyl)-piperidin-1-ylmethanone?
The IUPAC name of (5-chloro-2-methoxy-4-methylphenyl)-piperidin-1-ylmethanone (CID 110762027) is (5-chloro-2-methoxy-4-methylphenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (5-chloro-2-methoxy-4-methylphenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (5-chloro-2-methoxy-4-methylphenyl)-piperidin-1-ylmethanone is COc1cc(C)c(Cl)cc1C(=O)N1CCCCC1.
What is the InChIKey of (5-chloro-2-methoxy-4-methylphenyl)-piperidin-1-ylmethanone?
The InChIKey is KGQJTLQOOLJEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10-8-13(18-2)11(9-12(10)15)14(17)16-6-4-3-5-7-16/h8-9H,3-7H2,1-2H3.
What are the key properties of (5-chloro-2-methoxy-4-methylphenyl)-piperidin-1-ylmethanone?
(5-chloro-2-methoxy-4-methylphenyl)-piperidin-1-ylmethanone has a molecular weight of 267.76 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxy-4-methylphenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 110762027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).