(2R,3R,4S,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-4-ol

C25H27NO — CID 98713917

IUPAC(2R,3R,4S,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-4-ol
SMILESC[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1
InChIInChI=1S/C25H27NO/c1-19-24(22-15-9-4-10-16-22)26-23(21-13-7-3-8-14-21)18-25(19,27)17-20-11-5-2-6-12-20/h2-16,19,23-24,26-27H,17-18H2,1H3/t19-,23+,24-,25+/m1/s1
InChIKeyNDHOPVCXDQDCPC-MNVNNWCQSA-N
MW357.50 g/mol
LogP5.07
Rot. Bonds4

About (2R,3R,4S,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-4-ol

(2R,3R,4S,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-4-ol (PubChem CID 98713917) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is (2R,3R,4S,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-4-ol.

Molecular Properties

Compound Name(2R,3R,4S,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-4-ol
PubChem CID98713917
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name(2R,3R,4S,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-4-ol
SMILESC[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1
InChIInChI=1S/C25H27NO/c1-19-24(22-15-9-4-10-16-22)26-23(21-13-7-3-8-14-21)18-25(19,27)17-20-11-5-2-6-12-20/h2-16,19,23-24,26-27H,17-18H2,1H3/t19-,23+,24-,25+/m1/s1
InChIKeyNDHOPVCXDQDCPC-MNVNNWCQSA-N
XLogP5.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R,3R,4S,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-4-ol with MolForge

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Related Compounds

(2R,3R,4R,6R)-4-benzyl-3-methyl-2,6-diphenylpiperidin-4-ol
CID 124714824
(2R,3R,4S,6S)-4-[(2-chlorophenyl)methyl]-3-methyl-2,6-diphenylpiperidin-4-ol
CID 1333836
(2S,3S,4S,6R)-4-butyl-3-methyl-2,6-diphenylpiperidin-4-ol
CID 11903564
(2S,3S,5S,6S)-4-benzyl-3,5-dimethyl-2,6-diphenylpiperidin-4-ol
CID 7243060
(2R,3S,4R,6R)-3-ethyl-2,6-diphenyl-4-propylpiperidin-4-ol
CID 1230070
(2S,3R,4R,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol
CID 7281626
ethyl (4R,5R,7S)-4-methyl-5,7-diphenyl-6-azaspiro[2.5]octane-2-carboxylate
CID 100969299
(2S,3S,5R,6R)-4-benzyl-2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-ol
CID 7112352
(2S,3R,4S,6R)-4-(2-diethoxyphosphorylsulfanylethynyl)-3-methyl-2,6-diphenylpiperidin-4-ol
CID 3055781
4-butyl-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-ol;hydrochloride
CID 2854780
(2S,3S,5S,6S)-3,5-dimethyl-2,6-diphenyl-4-propylpiperidin-4-ol
CID 11877897
(E)-3-methyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine
CID 45272940

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-4-ol?
The IUPAC name of (2R,3R,4S,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-4-ol (CID 98713917) is (2R,3R,4S,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-4-ol.
What is the SMILES notation for (2R,3R,4S,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-4-ol?
The canonical SMILES for (2R,3R,4S,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-4-ol is C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1.
What is the InChIKey of (2R,3R,4S,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-4-ol?
The InChIKey is NDHOPVCXDQDCPC-MNVNNWCQSA-N. The full InChI is InChI=1S/C25H27NO/c1-19-24(22-15-9-4-10-16-22)26-23(21-13-7-3-8-14-21)18-25(19,27)17-20-11-5-2-6-12-20/h2-16,19,23-24,26-27H,17-18H2,1H3/t19-,23+,24-,25+/m1/s1.
What are the key properties of (2R,3R,4S,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-4-ol?
(2R,3R,4S,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-4-ol has a molecular weight of 357.50 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-4-ol is sourced from PubChem (CID 98713917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).