1-benzyl-4-(3-chlorophenyl)piperidin-3-one

C18H18ClNO — CID 141447100

IUPAC1-benzyl-4-(3-chlorophenyl)piperidin-3-one
SMILESO=C1CN(Cc2ccccc2)CCC1c1cccc(Cl)c1
InChIInChI=1S/C18H18ClNO/c19-16-8-4-7-15(11-16)17-9-10-20(13-18(17)21)12-14-5-2-1-3-6-14/h1-8,11,17H,9-10,12-13H2
InChIKeyFIGCVHKEUKMXSM-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.90
Rot. Bonds3

About 1-benzyl-4-(3-chlorophenyl)piperidin-3-one

1-benzyl-4-(3-chlorophenyl)piperidin-3-one (PubChem CID 141447100) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is 1-benzyl-4-(3-chlorophenyl)piperidin-3-one.

Molecular Properties

Compound Name1-benzyl-4-(3-chlorophenyl)piperidin-3-one
PubChem CID141447100
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name1-benzyl-4-(3-chlorophenyl)piperidin-3-one
SMILESO=C1CN(Cc2ccccc2)CCC1c1cccc(Cl)c1
InChIInChI=1S/C18H18ClNO/c19-16-8-4-7-15(11-16)17-9-10-20(13-18(17)21)12-14-5-2-1-3-6-14/h1-8,11,17H,9-10,12-13H2
InChIKeyFIGCVHKEUKMXSM-UHFFFAOYSA-N
XLogP3.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-fluoropiperidin-3-one
CID 83670241
1-benzyl-3-(3-chlorophenyl)piperidin-4-amine
CID 11601858
(3R)-1-benzyl-3-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 53474672
2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 53373507
4-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]benzoic acid
CID 122033759
4-benzyl-1-[(3-chlorophenyl)methyl]piperidine
CID 785748
(3R,4S)-1-benzyl-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 46839560
1-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 12641838
(1R,16R)-13-benzyl-16-(3-chlorophenyl)-2,10,13-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-3,5,7,11(15)-tetraen-12-one
CID 71500164
(3S)-1-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 28875744
1-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 51063843
2-[(2-chloro-4-fluorophenyl)methyl]-6-[(3-chlorophenyl)methyl]-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 53371917

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-chlorophenyl)piperidin-3-one?
The IUPAC name of 1-benzyl-4-(3-chlorophenyl)piperidin-3-one (CID 141447100) is 1-benzyl-4-(3-chlorophenyl)piperidin-3-one.
What is the SMILES notation for 1-benzyl-4-(3-chlorophenyl)piperidin-3-one?
The canonical SMILES for 1-benzyl-4-(3-chlorophenyl)piperidin-3-one is O=C1CN(Cc2ccccc2)CCC1c1cccc(Cl)c1.
What is the InChIKey of 1-benzyl-4-(3-chlorophenyl)piperidin-3-one?
The InChIKey is FIGCVHKEUKMXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c19-16-8-4-7-15(11-16)17-9-10-20(13-18(17)21)12-14-5-2-1-3-6-14/h1-8,11,17H,9-10,12-13H2.
What are the key properties of 1-benzyl-4-(3-chlorophenyl)piperidin-3-one?
1-benzyl-4-(3-chlorophenyl)piperidin-3-one has a molecular weight of 299.80 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-chlorophenyl)piperidin-3-one is sourced from PubChem (CID 141447100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).