3-(4-chlorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one

C17H24ClNO — CID 21025482

IUPAC3-(4-chlorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)C1CCN(C(=O)CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClNO/c1-13(2)15-9-11-19(12-10-15)17(20)8-5-14-3-6-16(18)7-4-14/h3-4,6-7,13,15H,5,8-12H2,1-2H3
InChIKeyFKXAGRBGTGYCBN-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.17
Rot. Bonds4

About 3-(4-chlorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one

3-(4-chlorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one (PubChem CID 21025482) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
PubChem CID21025482
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name3-(4-chlorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)C1CCN(C(=O)CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClNO/c1-13(2)15-9-11-19(12-10-15)17(20)8-5-14-3-6-16(18)7-4-14/h3-4,6-7,13,15H,5,8-12H2,1-2H3
InChIKeyFKXAGRBGTGYCBN-UHFFFAOYSA-N
XLogP4.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536940
1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 45341294
3-(4-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119644784
1-[4-(1-chloroethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 106838871
ethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 35763528
3-(4-tert-butylphenyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 112537676
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 63596377
(3S)-1-[3-(4-chlorophenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 124700361
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-bromophenyl)propan-1-one;hydrochloride
CID 119519933
3-(3-aminophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103495477
1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3-(4-chlorophenyl)propan-1-one
CID 86824492
4-chloro-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 108569833

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(4-chlorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one (CID 21025482) is 3-(4-chlorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one is CC(C)C1CCN(C(=O)CCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The InChIKey is FKXAGRBGTGYCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-13(2)15-9-11-19(12-10-15)17(20)8-5-14-3-6-16(18)7-4-14/h3-4,6-7,13,15H,5,8-12H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
3-(4-chlorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one has a molecular weight of 293.84 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 21025482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).