1-benzyl-4-(4-ethylphenyl)piperidin-2-one

C20H23NO — CID 139936117

IUPAC1-benzyl-4-(4-ethylphenyl)piperidin-2-one
SMILESCCc1ccc(C2CCN(Cc3ccccc3)C(=O)C2)cc1
InChIInChI=1S/C20H23NO/c1-2-16-8-10-18(11-9-16)19-12-13-21(20(22)14-19)15-17-6-4-3-5-7-17/h3-11,19H,2,12-15H2,1H3
InChIKeyJSPBVXUFXNPCPV-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.16
Rot. Bonds4

About 1-benzyl-4-(4-ethylphenyl)piperidin-2-one

1-benzyl-4-(4-ethylphenyl)piperidin-2-one (PubChem CID 139936117) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-benzyl-4-(4-ethylphenyl)piperidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-(4-ethylphenyl)piperidin-2-one
PubChem CID139936117
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name1-benzyl-4-(4-ethylphenyl)piperidin-2-one
SMILESCCc1ccc(C2CCN(Cc3ccccc3)C(=O)C2)cc1
InChIInChI=1S/C20H23NO/c1-2-16-8-10-18(11-9-16)19-12-13-21(20(22)14-19)15-17-6-4-3-5-7-17/h3-11,19H,2,12-15H2,1H3
InChIKeyJSPBVXUFXNPCPV-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-ethylphenyl)piperidin-2-one?
The IUPAC name of 1-benzyl-4-(4-ethylphenyl)piperidin-2-one (CID 139936117) is 1-benzyl-4-(4-ethylphenyl)piperidin-2-one.
What is the SMILES notation for 1-benzyl-4-(4-ethylphenyl)piperidin-2-one?
The canonical SMILES for 1-benzyl-4-(4-ethylphenyl)piperidin-2-one is CCc1ccc(C2CCN(Cc3ccccc3)C(=O)C2)cc1.
What is the InChIKey of 1-benzyl-4-(4-ethylphenyl)piperidin-2-one?
The InChIKey is JSPBVXUFXNPCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-2-16-8-10-18(11-9-16)19-12-13-21(20(22)14-19)15-17-6-4-3-5-7-17/h3-11,19H,2,12-15H2,1H3.
What are the key properties of 1-benzyl-4-(4-ethylphenyl)piperidin-2-one?
1-benzyl-4-(4-ethylphenyl)piperidin-2-one has a molecular weight of 293.41 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-ethylphenyl)piperidin-2-one is sourced from PubChem (CID 139936117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).