(4-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone

C14H18ClNO2 — CID 55183162

IUPAC(4-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)N2CCC(Cl)CC2)ccc1C
InChIInChI=1S/C14H18ClNO2/c1-10-3-4-11(9-13(10)18-2)14(17)16-7-5-12(15)6-8-16/h3-4,9,12H,5-8H2,1-2H3
InChIKeyPXYLEBDLXWLTHB-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.85
Rot. Bonds2

About (4-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone

(4-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone (PubChem CID 55183162) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is (4-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name(4-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone
PubChem CID55183162
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name(4-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)N2CCC(Cl)CC2)ccc1C
InChIInChI=1S/C14H18ClNO2/c1-10-3-4-11(9-13(10)18-2)14(17)16-7-5-12(15)6-8-16/h3-4,9,12H,5-8H2,1-2H3
InChIKeyPXYLEBDLXWLTHB-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (4-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)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

cyclopentyl-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methanone
CID 38391613
(3-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 63393366
[4-(diethylamino)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 142332387
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 80550753
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 142234561
[4-(3,5-difluorobenzoyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 55808045
[(3S)-3-hydroxypiperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 93033672
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 115746621
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 114802000
(2R)-1-[1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 94822612
(4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone
CID 82480569
1-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 119736818

Frequently Asked Questions

What is the IUPAC name of (4-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone?
The IUPAC name of (4-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone (CID 55183162) is (4-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone.
What is the SMILES notation for (4-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone?
The canonical SMILES for (4-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone is COc1cc(C(=O)N2CCC(Cl)CC2)ccc1C.
What is the InChIKey of (4-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone?
The InChIKey is PXYLEBDLXWLTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10-3-4-11(9-13(10)18-2)14(17)16-7-5-12(15)6-8-16/h3-4,9,12H,5-8H2,1-2H3.
What are the key properties of (4-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone?
(4-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone has a molecular weight of 267.76 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone is sourced from PubChem (CID 55183162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).