6-(4-chlorophenyl)-3-methyl-2-(4-methylphenyl)piperidin-4-one

C19H20ClNO — CID 10018492

IUPAC6-(4-chlorophenyl)-3-methyl-2-(4-methylphenyl)piperidin-4-one
SMILESCc1ccc(C2NC(c3ccc(Cl)cc3)CC(=O)C2C)cc1
InChIInChI=1S/C19H20ClNO/c1-12-3-5-15(6-4-12)19-13(2)18(22)11-17(21-19)14-7-9-16(20)10-8-14/h3-10,13,17,19,21H,11H2,1-2H3
InChIKeyKMXQEIZPBZUAHL-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.63
Rot. Bonds2

About 6-(4-chlorophenyl)-3-methyl-2-(4-methylphenyl)piperidin-4-one

6-(4-chlorophenyl)-3-methyl-2-(4-methylphenyl)piperidin-4-one (PubChem CID 10018492) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-methyl-2-(4-methylphenyl)piperidin-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-methyl-2-(4-methylphenyl)piperidin-4-one
PubChem CID10018492
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name6-(4-chlorophenyl)-3-methyl-2-(4-methylphenyl)piperidin-4-one
SMILESCc1ccc(C2NC(c3ccc(Cl)cc3)CC(=O)C2C)cc1
InChIInChI=1S/C19H20ClNO/c1-12-3-5-15(6-4-12)19-13(2)18(22)11-17(21-19)14-7-9-16(20)10-8-14/h3-10,13,17,19,21H,11H2,1-2H3
InChIKeyKMXQEIZPBZUAHL-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R,6S)-3-methyl-2,6-bis(4-methylphenyl)piperidin-4-one
CID 100836349
(2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-one
CID 7021020
(NE)-N-[(2S,3R,6S)-2,6-bis(4-chlorophenyl)-3-methylpiperidin-4-ylidene]hydroxylamine
CID 7407907
(NE)-N-[(2R,3S,6R)-2,6-bis(4-chlorophenyl)-3-methylpiperidin-4-ylidene]hydroxylamine
CID 6341275
(NZ)-N-[3-methyl-2,6-bis(4-methylphenyl)piperidin-4-ylidene]hydroxylamine
CID 171985956
N-[3-methyl-2,6-bis(4-methylphenyl)piperidin-4-ylidene]hydroxylamine
CID 4711818
2,6-bis(4-chlorophenyl)-3-methylpiperidin-4-ol
CID 4518766
(4Z)-4-hydroxyimino-2,6-bis(4-methylphenyl)piperidin-3-ol
CID 43831630
2,6-bis(4-bromophenyl)-3-propan-2-ylpiperidin-4-one
CID 4689702
2,4,6,8-tetrakis(4-chlorophenyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 4050078
5-(4-chlorophenyl)-2-methylpyrazolidin-3-one
CID 59098195
6-(4-chlorophenyl)diazinan-3-one
CID 139782184

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-methyl-2-(4-methylphenyl)piperidin-4-one?
The IUPAC name of 6-(4-chlorophenyl)-3-methyl-2-(4-methylphenyl)piperidin-4-one (CID 10018492) is 6-(4-chlorophenyl)-3-methyl-2-(4-methylphenyl)piperidin-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-3-methyl-2-(4-methylphenyl)piperidin-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-3-methyl-2-(4-methylphenyl)piperidin-4-one is Cc1ccc(C2NC(c3ccc(Cl)cc3)CC(=O)C2C)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-3-methyl-2-(4-methylphenyl)piperidin-4-one?
The InChIKey is KMXQEIZPBZUAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO/c1-12-3-5-15(6-4-12)19-13(2)18(22)11-17(21-19)14-7-9-16(20)10-8-14/h3-10,13,17,19,21H,11H2,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-3-methyl-2-(4-methylphenyl)piperidin-4-one?
6-(4-chlorophenyl)-3-methyl-2-(4-methylphenyl)piperidin-4-one has a molecular weight of 313.83 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-methyl-2-(4-methylphenyl)piperidin-4-one is sourced from PubChem (CID 10018492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).