[2-(2-chloroethyl)piperidin-1-yl]-(3-methylphenyl)methanone

C15H20ClNO — CID 55187614

IUPAC[2-(2-chloroethyl)piperidin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCCCC2CCCl)c1
InChIInChI=1S/C15H20ClNO/c1-12-5-4-6-13(11-12)15(18)17-10-3-2-7-14(17)8-9-16/h4-6,11,14H,2-3,7-10H2,1H3
InChIKeyJPGJCNWVSSOLPM-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.62
Rot. Bonds3

About [2-(2-chloroethyl)piperidin-1-yl]-(3-methylphenyl)methanone

[2-(2-chloroethyl)piperidin-1-yl]-(3-methylphenyl)methanone (PubChem CID 55187614) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is [2-(2-chloroethyl)piperidin-1-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(2-chloroethyl)piperidin-1-yl]-(3-methylphenyl)methanone
PubChem CID55187614
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name[2-(2-chloroethyl)piperidin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCCCC2CCCl)c1
InChIInChI=1S/C15H20ClNO/c1-12-5-4-6-13(11-12)15(18)17-10-3-2-7-14(17)8-9-16/h4-6,11,14H,2-3,7-10H2,1H3
InChIKeyJPGJCNWVSSOLPM-UHFFFAOYSA-N
XLogP3.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.62
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

[(2R)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 26819143
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 23607107
(3-bromophenyl)-[2-(2-chloroethyl)piperidin-1-yl]methanone
CID 63393628
(3-methylphenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
CID 52984382
1-[1-(3-methylbenzoyl)piperidin-2-yl]propan-2-one
CID 79549536
(3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 95111754
[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 79549123
[2-(2-chloroethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 63393830
[2-(2-chloroethyl)piperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 55188177
[2-(2-chloroethyl)piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 63393532
[2-(2-chloroethyl)piperidin-1-yl]-(2-fluoro-5-methylphenyl)methanone
CID 55186852
[2-(2-chloroethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 63393828

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroethyl)piperidin-1-yl]-(3-methylphenyl)methanone?
The IUPAC name of [2-(2-chloroethyl)piperidin-1-yl]-(3-methylphenyl)methanone (CID 55187614) is [2-(2-chloroethyl)piperidin-1-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [2-(2-chloroethyl)piperidin-1-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [2-(2-chloroethyl)piperidin-1-yl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCCCC2CCCl)c1.
What is the InChIKey of [2-(2-chloroethyl)piperidin-1-yl]-(3-methylphenyl)methanone?
The InChIKey is JPGJCNWVSSOLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-12-5-4-6-13(11-12)15(18)17-10-3-2-7-14(17)8-9-16/h4-6,11,14H,2-3,7-10H2,1H3.
What are the key properties of [2-(2-chloroethyl)piperidin-1-yl]-(3-methylphenyl)methanone?
[2-(2-chloroethyl)piperidin-1-yl]-(3-methylphenyl)methanone has a molecular weight of 265.78 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroethyl)piperidin-1-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 55187614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).