(2-chloro-4-methylphenyl)-(4-chloro-3-methylpiperidin-1-yl)methanone

C14H17Cl2NO — CID 106864067

IUPAC(2-chloro-4-methylphenyl)-(4-chloro-3-methylpiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(Cl)C(C)C2)c(Cl)c1
InChIInChI=1S/C14H17Cl2NO/c1-9-3-4-11(13(16)7-9)14(18)17-6-5-12(15)10(2)8-17/h3-4,7,10,12H,5-6,8H2,1-2H3
InChIKeyYDGWQYLRFBGJPM-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.74
Rot. Bonds1

About (2-chloro-4-methylphenyl)-(4-chloro-3-methylpiperidin-1-yl)methanone

(2-chloro-4-methylphenyl)-(4-chloro-3-methylpiperidin-1-yl)methanone (PubChem CID 106864067) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-(4-chloro-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-(4-chloro-3-methylpiperidin-1-yl)methanone
PubChem CID106864067
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC Name(2-chloro-4-methylphenyl)-(4-chloro-3-methylpiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(Cl)C(C)C2)c(Cl)c1
InChIInChI=1S/C14H17Cl2NO/c1-9-3-4-11(13(16)7-9)14(18)17-6-5-12(15)10(2)8-17/h3-4,7,10,12H,5-6,8H2,1-2H3
InChIKeyYDGWQYLRFBGJPM-UHFFFAOYSA-N
XLogP3.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-chloro-3-methylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone
CID 114683079
(2-chloro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 885823
(4-chloro-3-methylpiperidin-1-yl)-(2,4-dibromophenyl)methanone
CID 107941466
(4-chloro-3-methylpiperidin-1-yl)-(3-methylphenyl)methanone
CID 114682944
(4-amino-3-ethylpiperidin-1-yl)-(2-chloro-4-methylphenyl)methanone
CID 106862298
(4-chloro-3-methylpiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 114683136
(4-bromo-2-chlorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114679899
(4-chloro-3-methylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone
CID 114683018
1-(2-chloro-4-methylbenzoyl)piperidine-3-carbonitrile
CID 106861257
3-[1-(2-chloro-4-methylbenzoyl)pyrrolidin-3-yl]propanoic acid
CID 106860665
(2-chlorofuran-3-yl)-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 106690201
1-(2-chloro-4-methylbenzoyl)piperidine-4-carbothioamide
CID 106861309

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-(4-chloro-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-chloro-4-methylphenyl)-(4-chloro-3-methylpiperidin-1-yl)methanone (CID 106864067) is (2-chloro-4-methylphenyl)-(4-chloro-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-4-methylphenyl)-(4-chloro-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-chloro-4-methylphenyl)-(4-chloro-3-methylpiperidin-1-yl)methanone is Cc1ccc(C(=O)N2CCC(Cl)C(C)C2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylphenyl)-(4-chloro-3-methylpiperidin-1-yl)methanone?
The InChIKey is YDGWQYLRFBGJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c1-9-3-4-11(13(16)7-9)14(18)17-6-5-12(15)10(2)8-17/h3-4,7,10,12H,5-6,8H2,1-2H3.
What are the key properties of (2-chloro-4-methylphenyl)-(4-chloro-3-methylpiperidin-1-yl)methanone?
(2-chloro-4-methylphenyl)-(4-chloro-3-methylpiperidin-1-yl)methanone has a molecular weight of 286.20 g/mol, XLogP of 3.74, 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-chloro-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 106864067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).