(4-chloro-3-methylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone

C15H20ClNO — CID 114683079

IUPAC(4-chloro-3-methylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)N2CCC(Cl)C(C)C2)c1
InChIInChI=1S/C15H20ClNO/c1-10-4-5-11(2)13(8-10)15(18)17-7-6-14(16)12(3)9-17/h4-5,8,12,14H,6-7,9H2,1-3H3
InChIKeyMKTIHLYPSSYVJD-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.39
Rot. Bonds1

About (4-chloro-3-methylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone

(4-chloro-3-methylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone (PubChem CID 114683079) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is (4-chloro-3-methylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-3-methylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone
PubChem CID114683079
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name(4-chloro-3-methylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)N2CCC(Cl)C(C)C2)c1
InChIInChI=1S/C15H20ClNO/c1-10-4-5-11(2)13(8-10)15(18)17-7-6-14(16)12(3)9-17/h4-5,8,12,14H,6-7,9H2,1-3H3
InChIKeyMKTIHLYPSSYVJD-UHFFFAOYSA-N
XLogP3.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4-chloro-3-methylpiperidin-1-yl)-(2,5-dimethylphenyl)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
(4-chloro-3-methylpiperidin-1-yl)-(2-methyl-5-nitrophenyl)methanone
CID 114683137
(2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291160
(4-chloro-3-methylpiperidin-1-yl)-(3-methylphenyl)methanone
CID 114682944
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 114960355
(4-chloro-3-methylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone
CID 114683018
(2,5-dimethylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370766
(2,5-dimethylphenyl)-[(3S)-3-methoxypyrrolidin-1-yl]methanone
CID 166697905
(4-chloro-3-methylpiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 114683136
(4-chloro-3-methylpiperidin-1-yl)-(2,4-dibromophenyl)methanone
CID 107941466
(3-chloropyrrolidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 63398431
(5-bromo-2-methylphenyl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 115871730

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone?
The IUPAC name of (4-chloro-3-methylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone (CID 114683079) is (4-chloro-3-methylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone.
What is the SMILES notation for (4-chloro-3-methylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone?
The canonical SMILES for (4-chloro-3-methylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone is Cc1ccc(C)c(C(=O)N2CCC(Cl)C(C)C2)c1.
What is the InChIKey of (4-chloro-3-methylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone?
The InChIKey is MKTIHLYPSSYVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-10-4-5-11(2)13(8-10)15(18)17-7-6-14(16)12(3)9-17/h4-5,8,12,14H,6-7,9H2,1-3H3.
What are the key properties of (4-chloro-3-methylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone?
(4-chloro-3-methylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone has a molecular weight of 265.78 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone is sourced from PubChem (CID 114683079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).