(2S,3S,5S,6S)-4-benzyl-3,5-dimethyl-2,6-diphenylpiperidin-4-ol

C26H29NO — CID 7243060

IUPAC(2S,3S,5S,6S)-4-benzyl-3,5-dimethyl-2,6-diphenylpiperidin-4-ol
SMILESC[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)C1(O)Cc1ccccc1
InChIInChI=1S/C26H29NO/c1-19-24(22-14-8-4-9-15-22)27-25(23-16-10-5-11-17-23)20(2)26(19,28)18-21-12-6-3-7-13-21/h3-17,19-20,24-25,27-28H,18H2,1-2H3/t19-,20-,24-,25-/m0/s1
InChIKeyYRMXCILLNZAXNX-WNLYKICVSA-N
MW371.52 g/mol
LogP5.32
Rot. Bonds4

About (2S,3S,5S,6S)-4-benzyl-3,5-dimethyl-2,6-diphenylpiperidin-4-ol

(2S,3S,5S,6S)-4-benzyl-3,5-dimethyl-2,6-diphenylpiperidin-4-ol (PubChem CID 7243060) has the molecular formula C26H29NO and a molecular weight of 371.52 g/mol. Its IUPAC name is (2S,3S,5S,6S)-4-benzyl-3,5-dimethyl-2,6-diphenylpiperidin-4-ol.

Molecular Properties

Compound Name(2S,3S,5S,6S)-4-benzyl-3,5-dimethyl-2,6-diphenylpiperidin-4-ol
PubChem CID7243060
Molecular FormulaC26H29NO
Molecular Weight371.52 g/mol
Exact Mass371.22
IUPAC Name(2S,3S,5S,6S)-4-benzyl-3,5-dimethyl-2,6-diphenylpiperidin-4-ol
SMILESC[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)C1(O)Cc1ccccc1
InChIInChI=1S/C26H29NO/c1-19-24(22-14-8-4-9-15-22)27-25(23-16-10-5-11-17-23)20(2)26(19,28)18-21-12-6-3-7-13-21/h3-17,19-20,24-25,27-28H,18H2,1-2H3/t19-,20-,24-,25-/m0/s1
InChIKeyYRMXCILLNZAXNX-WNLYKICVSA-N
XLogP5.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.52
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,3S,5S,6S)-4-benzyl-3,5-dimethyl-2,6-diphenylpiperidin-4-ol with MolForge

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Related Compounds

(2S,3S,5R,6R)-4-benzyl-2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-ol
CID 7112352
(2S,3S,5S,6S)-3,5-dimethyl-2,6-diphenyl-4-propylpiperidin-4-ol
CID 11877897
(2R,3R,4R,6R)-4-benzyl-3-methyl-2,6-diphenylpiperidin-4-ol
CID 124714824
(2R,3R,4S,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-4-ol
CID 98713917
(2R,3S,5S,6S)-4-benzyl-1,3,5-trimethyl-2,6-diphenylpiperidin-4-ol
CID 7358357
(2S,3R,5S,6S)-3,5-dimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol
CID 7108613
(2R,3R,4S,5R,6S)-3-methyl-2,6-diphenyl-4,5-dipropylpiperidin-4-ol
CID 6555448
(2R,3R,4S,5S,6S)-4-butyl-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol
CID 11887995
(2R,3R,4R,5S,6S)-4-butyl-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol
CID 11887997
3,4-dimethyl-2,6-diphenyl-5-propylpiperidin-4-ol;hydrochloride
CID 2879638
(2S,3S,4R,5S,6R)-3-methyl-2,6-diphenyl-4-(2-phenylethynyl)-5-propylpiperidin-4-ol
CID 7243099
(2R,3S,4R,5S,6S)-4-hexyl-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol
CID 11891407

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S,6S)-4-benzyl-3,5-dimethyl-2,6-diphenylpiperidin-4-ol?
The IUPAC name of (2S,3S,5S,6S)-4-benzyl-3,5-dimethyl-2,6-diphenylpiperidin-4-ol (CID 7243060) is (2S,3S,5S,6S)-4-benzyl-3,5-dimethyl-2,6-diphenylpiperidin-4-ol.
What is the SMILES notation for (2S,3S,5S,6S)-4-benzyl-3,5-dimethyl-2,6-diphenylpiperidin-4-ol?
The canonical SMILES for (2S,3S,5S,6S)-4-benzyl-3,5-dimethyl-2,6-diphenylpiperidin-4-ol is C[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)C1(O)Cc1ccccc1.
What is the InChIKey of (2S,3S,5S,6S)-4-benzyl-3,5-dimethyl-2,6-diphenylpiperidin-4-ol?
The InChIKey is YRMXCILLNZAXNX-WNLYKICVSA-N. The full InChI is InChI=1S/C26H29NO/c1-19-24(22-14-8-4-9-15-22)27-25(23-16-10-5-11-17-23)20(2)26(19,28)18-21-12-6-3-7-13-21/h3-17,19-20,24-25,27-28H,18H2,1-2H3/t19-,20-,24-,25-/m0/s1.
What are the key properties of (2S,3S,5S,6S)-4-benzyl-3,5-dimethyl-2,6-diphenylpiperidin-4-ol?
(2S,3S,5S,6S)-4-benzyl-3,5-dimethyl-2,6-diphenylpiperidin-4-ol has a molecular weight of 371.52 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S,6S)-4-benzyl-3,5-dimethyl-2,6-diphenylpiperidin-4-ol is sourced from PubChem (CID 7243060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).