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

C25H28NO+ — CID 7281626

IUPAC(2S,3R,4R,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol
SMILESC[C@@H]1[C@@H](c2ccccc2)[NH2+][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/p+1/t19-,23+,24+,25-/m1/s1
InChIKeyNDHOPVCXDQDCPC-LJYZBVLISA-O
MW358.51 g/mol
LogP4.05
Rot. Bonds4

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

(2S,3R,4R,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol (PubChem CID 7281626) has the molecular formula C25H28NO+ and a molecular weight of 358.51 g/mol. Its IUPAC name is (2S,3R,4R,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol.

Molecular Properties

Compound Name(2S,3R,4R,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol
PubChem CID7281626
Molecular FormulaC25H28NO+
Molecular Weight358.51 g/mol
Exact Mass358.22
IUPAC Name(2S,3R,4R,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol
SMILESC[C@@H]1[C@@H](c2ccccc2)[NH2+][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/p+1/t19-,23+,24+,25-/m1/s1
InChIKeyNDHOPVCXDQDCPC-LJYZBVLISA-O
XLogP4.05
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (2S,3R,4R,6S)-4-benzyl-3-methyl-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,3S,4R,6S)-4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol
CID 7302678
(2S,3S,4S,6S)-3-methyl-2,6-diphenyl-4-propylpiperidin-1-ium-4-ol
CID 11870588
(2S,3R,4R,6S)-4-[(2-chlorophenyl)methyl]-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol
CID 7364184
(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
4-butyl-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol;2-hydroxy-2-oxoacetate
CID 44656486
(2R,3R,4S,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-4-ol
CID 98713917
(2R,3R,4R,6R)-4-benzyl-3-methyl-2,6-diphenylpiperidin-4-ol
CID 124714824
(2R,3R,4S,6R)-3-methyl-2,6-bis(4-methylphenyl)-4-prop-2-enylpiperidin-1-ium-4-ol
CID 7480088
(2S,3S,4R,6S)-2,6-diphenyl-3-propan-2-yl-4-propylpiperidin-1-ium-4-ol
CID 11876586
(2R,3R,4R,6S)-3-ethyl-2,6-diphenyl-4-prop-2-enylpiperidin-1-ium-4-ol
CID 7112219

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol?
The IUPAC name of (2S,3R,4R,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol (CID 7281626) is (2S,3R,4R,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol.
What is the SMILES notation for (2S,3R,4R,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol?
The canonical SMILES for (2S,3R,4R,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol is C[C@@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1.
What is the InChIKey of (2S,3R,4R,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol?
The InChIKey is NDHOPVCXDQDCPC-LJYZBVLISA-O. 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/p+1/t19-,23+,24+,25-/m1/s1.
What are the key properties of (2S,3R,4R,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol?
(2S,3R,4R,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol has a molecular weight of 358.51 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol is sourced from PubChem (CID 7281626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).