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

C16H22ClNO — CID 110436627

IUPAC2-(3-chlorophenyl)-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCN(C(=O)C(C)(C)c2cccc(Cl)c2)C1
InChIInChI=1S/C16H22ClNO/c1-12-6-5-9-18(11-12)15(19)16(2,3)13-7-4-8-14(17)10-13/h4,7-8,10,12H,5-6,9,11H2,1-3H3
InChIKeyWPXNQCQYYJRZTM-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.88
Rot. Bonds2

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

2-(3-chlorophenyl)-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one (PubChem CID 110436627) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one
PubChem CID110436627
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name2-(3-chlorophenyl)-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCN(C(=O)C(C)(C)c2cccc(Cl)c2)C1
InChIInChI=1S/C16H22ClNO/c1-12-6-5-9-18(11-12)15(19)16(2,3)13-7-4-8-14(17)10-13/h4,7-8,10,12H,5-6,9,11H2,1-3H3
InChIKeyWPXNQCQYYJRZTM-UHFFFAOYSA-N
XLogP3.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119488068
1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)propane-1,3-dione
CID 108965472
(3S,4S)-1-[2-(3-chlorophenyl)-2-methylpropanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120951924
2-(3-chlorophenyl)-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119400424
N-[2-(3-chlorophenyl)ethyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108966723
N-(2,4-dichlorophenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108966816
2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 40543342
3-[2-(3-chlorophenyl)ethylamino]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032811
(5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 60674863
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 78783825
(3S)-N-(3-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857593
2-(3-chlorophenyl)-2-methylpropanoic acid
CID 15582644

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-(3-chlorophenyl)-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one (CID 110436627) is 2-(3-chlorophenyl)-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(3-chlorophenyl)-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-(3-chlorophenyl)-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one is CC1CCCN(C(=O)C(C)(C)c2cccc(Cl)c2)C1.
What is the InChIKey of 2-(3-chlorophenyl)-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one?
The InChIKey is WPXNQCQYYJRZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-12-6-5-9-18(11-12)15(19)16(2,3)13-7-4-8-14(17)10-13/h4,7-8,10,12H,5-6,9,11H2,1-3H3.
What are the key properties of 2-(3-chlorophenyl)-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one?
2-(3-chlorophenyl)-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one has a molecular weight of 279.81 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 110436627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).