(2S,3S,4R,6S)-3-ethyl-4-(2-methoxyphenyl)-2,6-diphenylpiperidin-4-ol

C26H29NO2 — CID 7392932

IUPAC(2S,3S,4R,6S)-3-ethyl-4-(2-methoxyphenyl)-2,6-diphenylpiperidin-4-ol
SMILESCC[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)c1ccccc1OC
InChIInChI=1S/C26H29NO2/c1-3-21-25(20-14-8-5-9-15-20)27-23(19-12-6-4-7-13-19)18-26(21,28)22-16-10-11-17-24(22)29-2/h4-17,21,23,25,27-28H,3,18H2,1-2H3/t21-,23-,25+,26+/m0/s1
InChIKeyHKJVXAYMDUGIOW-AAOIWRJWSA-N
MW387.52 g/mol
LogP5.38
Rot. Bonds5

About (2S,3S,4R,6S)-3-ethyl-4-(2-methoxyphenyl)-2,6-diphenylpiperidin-4-ol

(2S,3S,4R,6S)-3-ethyl-4-(2-methoxyphenyl)-2,6-diphenylpiperidin-4-ol (PubChem CID 7392932) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is (2S,3S,4R,6S)-3-ethyl-4-(2-methoxyphenyl)-2,6-diphenylpiperidin-4-ol.

Molecular Properties

Compound Name(2S,3S,4R,6S)-3-ethyl-4-(2-methoxyphenyl)-2,6-diphenylpiperidin-4-ol
PubChem CID7392932
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Name(2S,3S,4R,6S)-3-ethyl-4-(2-methoxyphenyl)-2,6-diphenylpiperidin-4-ol
SMILESCC[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)c1ccccc1OC
InChIInChI=1S/C26H29NO2/c1-3-21-25(20-14-8-5-9-15-20)27-23(19-12-6-4-7-13-19)18-26(21,28)22-16-10-11-17-24(22)29-2/h4-17,21,23,25,27-28H,3,18H2,1-2H3/t21-,23-,25+,26+/m0/s1
InChIKeyHKJVXAYMDUGIOW-AAOIWRJWSA-N
XLogP5.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3S,4R,6S)-3-ethyl-4-(2-methoxyphenyl)-2,6-diphenylpiperidin-4-ol with MolForge

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Related Compounds

(2S,3R,4S,6R)-3-ethyl-4-(4-fluorophenyl)-2,6-diphenylpiperidin-4-ol
CID 1241539
(2R,3S,4R,6S)-2,6-bis(4-methoxyphenyl)-4-(2-phenylethynyl)-3-propylpiperidin-4-ol
CID 41031072
2,6-bis(4-methoxyphenyl)-4-(2-phenylethynyl)-3-propylpiperidin-4-ol;hydrochloride
CID 52998404
1-(2-methoxyphenyl)-4-methylcyclohexan-1-ol
CID 60794785
3-hydroxy-3-(2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 80502483
(2S,3S,4S,6R)-4-butyl-3-methyl-2,6-diphenylpiperidin-4-ol
CID 11903564
(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
(3aS,7aR)-4-(2-methoxyphenyl)-6-methyl-1,2,3,3a,5,6,7,7a-octahydroisoindol-4-ol
CID 57207521
2-ethyl-1-(2-methoxyphenyl)cyclopropan-1-amine
CID 79332118
1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopropan-1-ol
CID 117297699
3-(2-methoxyphenyl)-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171958442

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,6S)-3-ethyl-4-(2-methoxyphenyl)-2,6-diphenylpiperidin-4-ol?
The IUPAC name of (2S,3S,4R,6S)-3-ethyl-4-(2-methoxyphenyl)-2,6-diphenylpiperidin-4-ol (CID 7392932) is (2S,3S,4R,6S)-3-ethyl-4-(2-methoxyphenyl)-2,6-diphenylpiperidin-4-ol.
What is the SMILES notation for (2S,3S,4R,6S)-3-ethyl-4-(2-methoxyphenyl)-2,6-diphenylpiperidin-4-ol?
The canonical SMILES for (2S,3S,4R,6S)-3-ethyl-4-(2-methoxyphenyl)-2,6-diphenylpiperidin-4-ol is CC[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)c1ccccc1OC.
What is the InChIKey of (2S,3S,4R,6S)-3-ethyl-4-(2-methoxyphenyl)-2,6-diphenylpiperidin-4-ol?
The InChIKey is HKJVXAYMDUGIOW-AAOIWRJWSA-N. The full InChI is InChI=1S/C26H29NO2/c1-3-21-25(20-14-8-5-9-15-20)27-23(19-12-6-4-7-13-19)18-26(21,28)22-16-10-11-17-24(22)29-2/h4-17,21,23,25,27-28H,3,18H2,1-2H3/t21-,23-,25+,26+/m0/s1.
What are the key properties of (2S,3S,4R,6S)-3-ethyl-4-(2-methoxyphenyl)-2,6-diphenylpiperidin-4-ol?
(2S,3S,4R,6S)-3-ethyl-4-(2-methoxyphenyl)-2,6-diphenylpiperidin-4-ol has a molecular weight of 387.52 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,6S)-3-ethyl-4-(2-methoxyphenyl)-2,6-diphenylpiperidin-4-ol is sourced from PubChem (CID 7392932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).