(2S,3S,5R,6R)-1,3,5-trimethyl-2,6-diphenyl-4-propan-2-ylpiperidin-4-ol

C23H31NO — CID 7112212

IUPAC(2S,3S,5R,6R)-1,3,5-trimethyl-2,6-diphenyl-4-propan-2-ylpiperidin-4-ol
SMILESCC(C)C1(O)[C@H](C)[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)[C@@H]1C
InChIInChI=1S/C23H31NO/c1-16(2)23(25)17(3)21(19-12-8-6-9-13-19)24(5)22(18(23)4)20-14-10-7-11-15-20/h6-18,21-22,25H,1-5H3/t17-,18+,21-,22+,23?
InChIKeyQTCCWCRPTWVSSV-USSLWURLSA-N
MW337.51 g/mol
LogP5.07
Rot. Bonds3

About (2S,3S,5R,6R)-1,3,5-trimethyl-2,6-diphenyl-4-propan-2-ylpiperidin-4-ol

(2S,3S,5R,6R)-1,3,5-trimethyl-2,6-diphenyl-4-propan-2-ylpiperidin-4-ol (PubChem CID 7112212) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is (2S,3S,5R,6R)-1,3,5-trimethyl-2,6-diphenyl-4-propan-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name(2S,3S,5R,6R)-1,3,5-trimethyl-2,6-diphenyl-4-propan-2-ylpiperidin-4-ol
PubChem CID7112212
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name(2S,3S,5R,6R)-1,3,5-trimethyl-2,6-diphenyl-4-propan-2-ylpiperidin-4-ol
SMILESCC(C)C1(O)[C@H](C)[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)[C@@H]1C
InChIInChI=1S/C23H31NO/c1-16(2)23(25)17(3)21(19-12-8-6-9-13-19)24(5)22(18(23)4)20-14-10-7-11-15-20/h6-18,21-22,25H,1-5H3/t17-,18+,21-,22+,23?
InChIKeyQTCCWCRPTWVSSV-USSLWURLSA-N
XLogP5.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,3S,5R,6R)-1,3,5-trimethyl-2,6-diphenyl-4-propan-2-ylpiperidin-4-ol with MolForge

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Related Compounds

(2R,3R,5R,6R)-1,3,5-trimethyl-2,6-diphenyl-4-propylpiperidin-4-ol
CID 124823280
(2R,3S,5S,6S)-4-benzyl-1,3,5-trimethyl-2,6-diphenylpiperidin-4-ol
CID 7358357
(2R,3R,5S,6S)-1,3,5-trimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol
CID 7243028
(2S,3S,4R,6S)-1,3-dimethyl-2,6-diphenyl-4-propylpiperidin-4-ol
CID 11904896
dimethyl (2R,3S,4S,5R)-1-methyl-2,5-diphenylpyrrolidine-3,4-dicarboxylate
CID 13169497
(1R,2R,4S,5S,6S,8R)-3-methyl-2,4,6,8-tetraphenyl-3-azabicyclo[3.3.1]nonan-9-one
CID 98127168
4-hydroxy-1,3-dimethyl-2-phenylpiperidine-4-carbonitrile
CID 608965
(2S,3S,4R,5R)-4-hydroxy-1,3,5-trimethyl-2-phenylpiperidine-4-carbonitrile
CID 98341597
(2S,3R,4R,5R)-4-hydroxy-1,3,5-trimethyl-2-phenylpiperidine-4-carbonitrile
CID 100865828
(2S,3S,4R,6S)-1-methyl-2,4,6-triphenyl-3-propan-2-ylpiperidin-4-ol
CID 7451838
(2R,3S,4S,6S)-1,3-dimethyl-2,6-diphenylpiperidin-4-ol
CID 6541757
1,3-dimethyl-2,6-diphenylpiperidin-4-ol
CID 2729803

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R,6R)-1,3,5-trimethyl-2,6-diphenyl-4-propan-2-ylpiperidin-4-ol?
The IUPAC name of (2S,3S,5R,6R)-1,3,5-trimethyl-2,6-diphenyl-4-propan-2-ylpiperidin-4-ol (CID 7112212) is (2S,3S,5R,6R)-1,3,5-trimethyl-2,6-diphenyl-4-propan-2-ylpiperidin-4-ol.
What is the SMILES notation for (2S,3S,5R,6R)-1,3,5-trimethyl-2,6-diphenyl-4-propan-2-ylpiperidin-4-ol?
The canonical SMILES for (2S,3S,5R,6R)-1,3,5-trimethyl-2,6-diphenyl-4-propan-2-ylpiperidin-4-ol is CC(C)C1(O)[C@H](C)[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)[C@@H]1C.
What is the InChIKey of (2S,3S,5R,6R)-1,3,5-trimethyl-2,6-diphenyl-4-propan-2-ylpiperidin-4-ol?
The InChIKey is QTCCWCRPTWVSSV-USSLWURLSA-N. The full InChI is InChI=1S/C23H31NO/c1-16(2)23(25)17(3)21(19-12-8-6-9-13-19)24(5)22(18(23)4)20-14-10-7-11-15-20/h6-18,21-22,25H,1-5H3/t17-,18+,21-,22+,23?.
What are the key properties of (2S,3S,5R,6R)-1,3,5-trimethyl-2,6-diphenyl-4-propan-2-ylpiperidin-4-ol?
(2S,3S,5R,6R)-1,3,5-trimethyl-2,6-diphenyl-4-propan-2-ylpiperidin-4-ol has a molecular weight of 337.51 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R,6R)-1,3,5-trimethyl-2,6-diphenyl-4-propan-2-ylpiperidin-4-ol is sourced from PubChem (CID 7112212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).