4-methyl-1-(3-methylphenyl)-4-phenylpiperidin-2-one

C19H21NO — CID 67104716

IUPAC4-methyl-1-(3-methylphenyl)-4-phenylpiperidin-2-one
SMILESCc1cccc(N2CCC(C)(c3ccccc3)CC2=O)c1
InChIInChI=1S/C19H21NO/c1-15-7-6-10-17(13-15)20-12-11-19(2,14-18(20)21)16-8-4-3-5-9-16/h3-10,13H,11-12,14H2,1-2H3
InChIKeyNXKICUZETFDACB-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.08
Rot. Bonds2

About 4-methyl-1-(3-methylphenyl)-4-phenylpiperidin-2-one

4-methyl-1-(3-methylphenyl)-4-phenylpiperidin-2-one (PubChem CID 67104716) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-methyl-1-(3-methylphenyl)-4-phenylpiperidin-2-one.

Molecular Properties

Compound Name4-methyl-1-(3-methylphenyl)-4-phenylpiperidin-2-one
PubChem CID67104716
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name4-methyl-1-(3-methylphenyl)-4-phenylpiperidin-2-one
SMILESCc1cccc(N2CCC(C)(c3ccccc3)CC2=O)c1
InChIInChI=1S/C19H21NO/c1-15-7-6-10-17(13-15)20-12-11-19(2,14-18(20)21)16-8-4-3-5-9-16/h3-10,13H,11-12,14H2,1-2H3
InChIKeyNXKICUZETFDACB-UHFFFAOYSA-N
XLogP4.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methylphenyl)-4-phenylpiperidin-2-one?
The IUPAC name of 4-methyl-1-(3-methylphenyl)-4-phenylpiperidin-2-one (CID 67104716) is 4-methyl-1-(3-methylphenyl)-4-phenylpiperidin-2-one.
What is the SMILES notation for 4-methyl-1-(3-methylphenyl)-4-phenylpiperidin-2-one?
The canonical SMILES for 4-methyl-1-(3-methylphenyl)-4-phenylpiperidin-2-one is Cc1cccc(N2CCC(C)(c3ccccc3)CC2=O)c1.
What is the InChIKey of 4-methyl-1-(3-methylphenyl)-4-phenylpiperidin-2-one?
The InChIKey is NXKICUZETFDACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-15-7-6-10-17(13-15)20-12-11-19(2,14-18(20)21)16-8-4-3-5-9-16/h3-10,13H,11-12,14H2,1-2H3.
What are the key properties of 4-methyl-1-(3-methylphenyl)-4-phenylpiperidin-2-one?
4-methyl-1-(3-methylphenyl)-4-phenylpiperidin-2-one has a molecular weight of 279.38 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methylphenyl)-4-phenylpiperidin-2-one is sourced from PubChem (CID 67104716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).