(2S,3R,6S)-3-methyl-2,6-bis(4-methylphenyl)piperidin-4-one

C20H23NO — CID 100836349

IUPAC(2S,3R,6S)-3-methyl-2,6-bis(4-methylphenyl)piperidin-4-one
SMILESCc1ccc([C@@H]2CC(=O)[C@H](C)[C@@H](c3ccc(C)cc3)N2)cc1
InChIInChI=1S/C20H23NO/c1-13-4-8-16(9-5-13)18-12-19(22)15(3)20(21-18)17-10-6-14(2)7-11-17/h4-11,15,18,20-21H,12H2,1-3H3/t15-,18-,20-/m0/s1
InChIKeyCIIGQBBCLUPVRT-QSFXBCCZSA-N
MW293.41 g/mol
LogP4.28
Rot. Bonds2

About (2S,3R,6S)-3-methyl-2,6-bis(4-methylphenyl)piperidin-4-one

(2S,3R,6S)-3-methyl-2,6-bis(4-methylphenyl)piperidin-4-one (PubChem CID 100836349) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (2S,3R,6S)-3-methyl-2,6-bis(4-methylphenyl)piperidin-4-one.

Molecular Properties

Compound Name(2S,3R,6S)-3-methyl-2,6-bis(4-methylphenyl)piperidin-4-one
PubChem CID100836349
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(2S,3R,6S)-3-methyl-2,6-bis(4-methylphenyl)piperidin-4-one
SMILESCc1ccc([C@@H]2CC(=O)[C@H](C)[C@@H](c3ccc(C)cc3)N2)cc1
InChIInChI=1S/C20H23NO/c1-13-4-8-16(9-5-13)18-12-19(22)15(3)20(21-18)17-10-6-14(2)7-11-17/h4-11,15,18,20-21H,12H2,1-3H3/t15-,18-,20-/m0/s1
InChIKeyCIIGQBBCLUPVRT-QSFXBCCZSA-N
XLogP4.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-chlorophenyl)-3-methyl-2-(4-methylphenyl)piperidin-4-one
CID 10018492
(2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-one
CID 7021020
(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
(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
2,6-diphenyl-3-propan-2-ylpiperidin-4-one;hydrochloride
CID 71325990
6-methyl-7,9-bis(4-methylphenyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one
CID 11100216
5-(4-methylphenyl)pyrrolidin-3-one;hydrochloride
CID 115027658
(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
(2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-propylpiperidin-4-one
CID 7104544

Frequently Asked Questions

What is the IUPAC name of (2S,3R,6S)-3-methyl-2,6-bis(4-methylphenyl)piperidin-4-one?
The IUPAC name of (2S,3R,6S)-3-methyl-2,6-bis(4-methylphenyl)piperidin-4-one (CID 100836349) is (2S,3R,6S)-3-methyl-2,6-bis(4-methylphenyl)piperidin-4-one.
What is the SMILES notation for (2S,3R,6S)-3-methyl-2,6-bis(4-methylphenyl)piperidin-4-one?
The canonical SMILES for (2S,3R,6S)-3-methyl-2,6-bis(4-methylphenyl)piperidin-4-one is Cc1ccc([C@@H]2CC(=O)[C@H](C)[C@@H](c3ccc(C)cc3)N2)cc1.
What is the InChIKey of (2S,3R,6S)-3-methyl-2,6-bis(4-methylphenyl)piperidin-4-one?
The InChIKey is CIIGQBBCLUPVRT-QSFXBCCZSA-N. The full InChI is InChI=1S/C20H23NO/c1-13-4-8-16(9-5-13)18-12-19(22)15(3)20(21-18)17-10-6-14(2)7-11-17/h4-11,15,18,20-21H,12H2,1-3H3/t15-,18-,20-/m0/s1.
What are the key properties of (2S,3R,6S)-3-methyl-2,6-bis(4-methylphenyl)piperidin-4-one?
(2S,3R,6S)-3-methyl-2,6-bis(4-methylphenyl)piperidin-4-one has a molecular weight of 293.41 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6S)-3-methyl-2,6-bis(4-methylphenyl)piperidin-4-one is sourced from PubChem (CID 100836349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).