2,3-dimethyl-1-(2-phenylphenyl)piperidin-4-one

C19H21NO — CID 79397807

IUPAC2,3-dimethyl-1-(2-phenylphenyl)piperidin-4-one
SMILESCC1C(=O)CCN(c2ccccc2-c2ccccc2)C1C
InChIInChI=1S/C19H21NO/c1-14-15(2)20(13-12-19(14)21)18-11-7-6-10-17(18)16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3
InChIKeyXTYAYYZXAXKGOB-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.16
Rot. Bonds2

About 2,3-dimethyl-1-(2-phenylphenyl)piperidin-4-one

2,3-dimethyl-1-(2-phenylphenyl)piperidin-4-one (PubChem CID 79397807) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 2,3-dimethyl-1-(2-phenylphenyl)piperidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-1-(2-phenylphenyl)piperidin-4-one
PubChem CID79397807
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name2,3-dimethyl-1-(2-phenylphenyl)piperidin-4-one
SMILESCC1C(=O)CCN(c2ccccc2-c2ccccc2)C1C
InChIInChI=1S/C19H21NO/c1-14-15(2)20(13-12-19(14)21)18-11-7-6-10-17(18)16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3
InChIKeyXTYAYYZXAXKGOB-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(2-phenylphenyl)piperidin-4-one?
The IUPAC name of 2,3-dimethyl-1-(2-phenylphenyl)piperidin-4-one (CID 79397807) is 2,3-dimethyl-1-(2-phenylphenyl)piperidin-4-one.
What is the SMILES notation for 2,3-dimethyl-1-(2-phenylphenyl)piperidin-4-one?
The canonical SMILES for 2,3-dimethyl-1-(2-phenylphenyl)piperidin-4-one is CC1C(=O)CCN(c2ccccc2-c2ccccc2)C1C.
What is the InChIKey of 2,3-dimethyl-1-(2-phenylphenyl)piperidin-4-one?
The InChIKey is XTYAYYZXAXKGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-14-15(2)20(13-12-19(14)21)18-11-7-6-10-17(18)16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3.
What are the key properties of 2,3-dimethyl-1-(2-phenylphenyl)piperidin-4-one?
2,3-dimethyl-1-(2-phenylphenyl)piperidin-4-one has a molecular weight of 279.38 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(2-phenylphenyl)piperidin-4-one is sourced from PubChem (CID 79397807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).