1-benzyl-2-(4-methylphenyl)piperidin-3-one

C19H21NO — CID 141447094

IUPAC1-benzyl-2-(4-methylphenyl)piperidin-3-one
SMILESCc1ccc(C2C(=O)CCCN2Cc2ccccc2)cc1
InChIInChI=1S/C19H21NO/c1-15-9-11-17(12-10-15)19-18(21)8-5-13-20(19)14-16-6-3-2-4-7-16/h2-4,6-7,9-12,19H,5,8,13-14H2,1H3
InChIKeyLLTOAAAPGFVIRS-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.90
Rot. Bonds3

About 1-benzyl-2-(4-methylphenyl)piperidin-3-one

1-benzyl-2-(4-methylphenyl)piperidin-3-one (PubChem CID 141447094) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-benzyl-2-(4-methylphenyl)piperidin-3-one.

Molecular Properties

Compound Name1-benzyl-2-(4-methylphenyl)piperidin-3-one
PubChem CID141447094
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-benzyl-2-(4-methylphenyl)piperidin-3-one
SMILESCc1ccc(C2C(=O)CCCN2Cc2ccccc2)cc1
InChIInChI=1S/C19H21NO/c1-15-9-11-17(12-10-15)19-18(21)8-5-13-20(19)14-16-6-3-2-4-7-16/h2-4,6-7,9-12,19H,5,8,13-14H2,1H3
InChIKeyLLTOAAAPGFVIRS-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 ≤ 500279.38
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(4-methylphenyl)piperidin-3-one?
The IUPAC name of 1-benzyl-2-(4-methylphenyl)piperidin-3-one (CID 141447094) is 1-benzyl-2-(4-methylphenyl)piperidin-3-one.
What is the SMILES notation for 1-benzyl-2-(4-methylphenyl)piperidin-3-one?
The canonical SMILES for 1-benzyl-2-(4-methylphenyl)piperidin-3-one is Cc1ccc(C2C(=O)CCCN2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-2-(4-methylphenyl)piperidin-3-one?
The InChIKey is LLTOAAAPGFVIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-15-9-11-17(12-10-15)19-18(21)8-5-13-20(19)14-16-6-3-2-4-7-16/h2-4,6-7,9-12,19H,5,8,13-14H2,1H3.
What are the key properties of 1-benzyl-2-(4-methylphenyl)piperidin-3-one?
1-benzyl-2-(4-methylphenyl)piperidin-3-one has a molecular weight of 279.38 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-2-(4-methylphenyl)piperidin-3-one is sourced from PubChem (CID 141447094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).