(2R,3S,4R,6S)-4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol

C26H30NO+ — CID 7302678

IUPAC(2R,3S,4R,6S)-4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol
SMILESCC[C@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1
InChIInChI=1S/C26H29NO/c1-2-23-25(22-16-10-5-11-17-22)27-24(21-14-8-4-9-15-21)19-26(23,28)18-20-12-6-3-7-13-20/h3-17,23-25,27-28H,2,18-19H2,1H3/p+1/t23-,24-,25-,26+/m0/s1
InChIKeyKIXGFZRPUASEFM-ASDGIDEWSA-O
MW372.53 g/mol
LogP4.44
Rot. Bonds5

About (2R,3S,4R,6S)-4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol

(2R,3S,4R,6S)-4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol (PubChem CID 7302678) has the molecular formula C26H30NO+ and a molecular weight of 372.53 g/mol. Its IUPAC name is (2R,3S,4R,6S)-4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol.

Molecular Properties

Compound Name(2R,3S,4R,6S)-4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol
PubChem CID7302678
Molecular FormulaC26H30NO+
Molecular Weight372.53 g/mol
Exact Mass372.23
IUPAC Name(2R,3S,4R,6S)-4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol
SMILESCC[C@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1
InChIInChI=1S/C26H29NO/c1-2-23-25(22-16-10-5-11-17-22)27-24(21-14-8-4-9-15-21)19-26(23,28)18-20-12-6-3-7-13-20/h3-17,23-25,27-28H,2,18-19H2,1H3/p+1/t23-,24-,25-,26+/m0/s1
InChIKeyKIXGFZRPUASEFM-ASDGIDEWSA-O
XLogP4.44
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (2R,3S,4R,6S)-4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol with MolForge

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Launch Full Analysis

Related Compounds

4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol
CID 3897493
(2R,3R,4R,6S)-4-benzyl-2,6-diphenyl-3-propylpiperidin-1-ium-4-ol
CID 7281613
(2S,3R,4R,6S)-4-benzyl-2,6-diphenyl-3-propylpiperidin-1-ium-4-ol
CID 7281617
(2S,3R,4R,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol
CID 7281626
(2R,3R,4R,6S)-3-ethyl-2,6-diphenyl-4-prop-2-enylpiperidin-1-ium-4-ol
CID 7112219
(2R,3S,4R,6S)-3-ethyl-4-(2-methylprop-2-enyl)-2,6-diphenylpiperidin-1-ium-4-ol
CID 7232625
(2S,3R,4R,6S)-3-ethyl-4-(4-fluorophenyl)-2,6-diphenylpiperidin-1-ium-4-ol
CID 7071710
3-ethyl-4-(4-fluorophenyl)-2,6-diphenylpiperidin-1-ium-4-ol chloride
CID 44654644
(2S,3S,4S,6S)-3-methyl-2,6-diphenyl-4-propylpiperidin-1-ium-4-ol
CID 11870588
(2S,3S,4R,6S)-2,6-diphenyl-3-propan-2-yl-4-propylpiperidin-1-ium-4-ol
CID 11876586
(2S,3R,4R,6S)-4-[(2-chlorophenyl)methyl]-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol
CID 7364184
(2R,3S,4R,6S)-2,6-diphenyl-4-(2-phenylethynyl)-3-propan-2-ylpiperidin-1-ium-4-ol
CID 7392919

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,6S)-4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol?
The IUPAC name of (2R,3S,4R,6S)-4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol (CID 7302678) is (2R,3S,4R,6S)-4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol.
What is the SMILES notation for (2R,3S,4R,6S)-4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol?
The canonical SMILES for (2R,3S,4R,6S)-4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol is CC[C@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1.
What is the InChIKey of (2R,3S,4R,6S)-4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol?
The InChIKey is KIXGFZRPUASEFM-ASDGIDEWSA-O. The full InChI is InChI=1S/C26H29NO/c1-2-23-25(22-16-10-5-11-17-22)27-24(21-14-8-4-9-15-21)19-26(23,28)18-20-12-6-3-7-13-20/h3-17,23-25,27-28H,2,18-19H2,1H3/p+1/t23-,24-,25-,26+/m0/s1.
What are the key properties of (2R,3S,4R,6S)-4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol?
(2R,3S,4R,6S)-4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol has a molecular weight of 372.53 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,6S)-4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol is sourced from PubChem (CID 7302678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).