2-chloro-2-(4-chlorophenyl)-1-piperidin-1-ylethanone

C13H15Cl2NO — CID 55047963

IUPAC2-chloro-2-(4-chlorophenyl)-1-piperidin-1-ylethanone
SMILESO=C(C(Cl)c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C13H15Cl2NO/c14-11-6-4-10(5-7-11)12(15)13(17)16-8-2-1-3-9-16/h4-7,12H,1-3,8-9H2
InChIKeyDBNVAASZELCLCF-UHFFFAOYSA-N
MW272.18 g/mol
LogP3.63
Rot. Bonds2

About 2-chloro-2-(4-chlorophenyl)-1-piperidin-1-ylethanone

2-chloro-2-(4-chlorophenyl)-1-piperidin-1-ylethanone (PubChem CID 55047963) has the molecular formula C13H15Cl2NO and a molecular weight of 272.18 g/mol. Its IUPAC name is 2-chloro-2-(4-chlorophenyl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-chloro-2-(4-chlorophenyl)-1-piperidin-1-ylethanone
PubChem CID55047963
Molecular FormulaC13H15Cl2NO
Molecular Weight272.18 g/mol
Exact Mass271.05
IUPAC Name2-chloro-2-(4-chlorophenyl)-1-piperidin-1-ylethanone
SMILESO=C(C(Cl)c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C13H15Cl2NO/c14-11-6-4-10(5-7-11)12(15)13(17)16-8-2-1-3-9-16/h4-7,12H,1-3,8-9H2
InChIKeyDBNVAASZELCLCF-UHFFFAOYSA-N
XLogP3.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 53.63
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

2-chloro-2-(4-methoxyphenyl)-1-piperidin-1-ylethanone
CID 55048012
2-chloro-2-(4-ethylphenyl)-1-piperidin-1-ylethanone
CID 62224274
2-chloro-2-(4-fluoro-3-methylphenyl)-1-pyrrolidin-1-ylethanone
CID 62226493
2-chloro-1-pyrrolidin-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanone
CID 62224994
2-chloro-2-(3,4-dimethylphenyl)-1-pyrrolidin-1-ylethanone
CID 55047866
2-(4-chlorophenyl)-1,4-dipyrrolidin-1-ylbutane-1,4-dione
CID 102277832
(2R,3S)-2-amino-3-(4-chlorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 24759914
1-(azepan-1-yl)-2-chloro-2-(6-methoxy-3-pyridinyl)ethanone
CID 114938447
2-chloro-2-(4-propoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 62496445
1-(azepan-1-yl)-2-chloro-2-(2-chloro-6-fluorophenyl)ethanone
CID 55047678
2-chloro-2-(3,5-dimethylphenyl)-1-pyrrolidin-1-ylethanone
CID 62225924
2-chloro-2-(3-fluoro-4-methoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 65101013

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(4-chlorophenyl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-chloro-2-(4-chlorophenyl)-1-piperidin-1-ylethanone (CID 55047963) is 2-chloro-2-(4-chlorophenyl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-chloro-2-(4-chlorophenyl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-chloro-2-(4-chlorophenyl)-1-piperidin-1-ylethanone is O=C(C(Cl)c1ccc(Cl)cc1)N1CCCCC1.
What is the InChIKey of 2-chloro-2-(4-chlorophenyl)-1-piperidin-1-ylethanone?
The InChIKey is DBNVAASZELCLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO/c14-11-6-4-10(5-7-11)12(15)13(17)16-8-2-1-3-9-16/h4-7,12H,1-3,8-9H2.
What are the key properties of 2-chloro-2-(4-chlorophenyl)-1-piperidin-1-ylethanone?
2-chloro-2-(4-chlorophenyl)-1-piperidin-1-ylethanone has a molecular weight of 272.18 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(4-chlorophenyl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 55047963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).