3-(2-chlorophenyl)-1-(2-methylpiperidin-1-yl)propan-1-one

C15H20ClNO — CID 78785123

IUPAC3-(2-chlorophenyl)-1-(2-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCCN1C(=O)CCc1ccccc1Cl
InChIInChI=1S/C15H20ClNO/c1-12-6-4-5-11-17(12)15(18)10-9-13-7-2-3-8-14(13)16/h2-3,7-8,12H,4-6,9-11H2,1H3
InChIKeyDEKQRBHVYLHSGE-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.67
Rot. Bonds3

About 3-(2-chlorophenyl)-1-(2-methylpiperidin-1-yl)propan-1-one

3-(2-chlorophenyl)-1-(2-methylpiperidin-1-yl)propan-1-one (PubChem CID 78785123) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(2-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(2-methylpiperidin-1-yl)propan-1-one
PubChem CID78785123
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name3-(2-chlorophenyl)-1-(2-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCCN1C(=O)CCc1ccccc1Cl
InChIInChI=1S/C15H20ClNO/c1-12-6-4-5-11-17(12)15(18)10-9-13-7-2-3-8-14(13)16/h2-3,7-8,12H,4-6,9-11H2,1H3
InChIKeyDEKQRBHVYLHSGE-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2S)-2-(aminomethyl)piperidin-1-yl]-3-(2-chlorophenyl)propan-1-one
CID 124573392
(2R)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 55151521
3-(3-amino-4-chlorophenyl)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 82071343
(2S)-1-[3-(2-chlorophenyl)propanoyl]-N-methylidenepyrrolidine-2-carboxamide
CID 170257704
2-(2-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 127119816
2-[2-(aminomethyl)phenyl]-1-(2-methylazepan-1-yl)ethanone
CID 81322400
methyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 43404780
2-(2-chloro-6-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 25252634
2-(2-ethoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 134503396
3-amino-1-(2-methylpiperidin-1-yl)propan-1-one
CID 16796103
3-(2-chlorophenyl)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 47067210
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(2-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(2-chlorophenyl)-1-(2-methylpiperidin-1-yl)propan-1-one (CID 78785123) is 3-(2-chlorophenyl)-1-(2-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(2-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(2-chlorophenyl)-1-(2-methylpiperidin-1-yl)propan-1-one is CC1CCCCN1C(=O)CCc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-1-(2-methylpiperidin-1-yl)propan-1-one?
The InChIKey is DEKQRBHVYLHSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-12-6-4-5-11-17(12)15(18)10-9-13-7-2-3-8-14(13)16/h2-3,7-8,12H,4-6,9-11H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-1-(2-methylpiperidin-1-yl)propan-1-one?
3-(2-chlorophenyl)-1-(2-methylpiperidin-1-yl)propan-1-one has a molecular weight of 265.78 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(2-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 78785123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).