(2S,3R,4R,6S)-4-[(2-chlorophenyl)methyl]-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol

C25H27ClNO+ — CID 7364184

IUPAC(2S,3R,4R,6S)-4-[(2-chlorophenyl)methyl]-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol
SMILESC[C@@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1Cl
InChIInChI=1S/C25H26ClNO/c1-18-24(20-12-6-3-7-13-20)27-23(19-10-4-2-5-11-19)17-25(18,28)16-21-14-8-9-15-22(21)26/h2-15,18,23-24,27-28H,16-17H2,1H3/p+1/t18-,23+,24+,25-/m1/s1
InChIKeyBEWVWNGYSGPFME-XELASAAXSA-O
MW392.95 g/mol
LogP4.70
Rot. Bonds4

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

(2S,3R,4R,6S)-4-[(2-chlorophenyl)methyl]-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol (PubChem CID 7364184) has the molecular formula C25H27ClNO+ and a molecular weight of 392.95 g/mol. Its IUPAC name is (2S,3R,4R,6S)-4-[(2-chlorophenyl)methyl]-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol.

Molecular Properties

Compound Name(2S,3R,4R,6S)-4-[(2-chlorophenyl)methyl]-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol
PubChem CID7364184
Molecular FormulaC25H27ClNO+
Molecular Weight392.95 g/mol
Exact Mass392.18
IUPAC Name(2S,3R,4R,6S)-4-[(2-chlorophenyl)methyl]-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol
SMILESC[C@@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1Cl
InChIInChI=1S/C25H26ClNO/c1-18-24(20-12-6-3-7-13-20)27-23(19-10-4-2-5-11-19)17-25(18,28)16-21-14-8-9-15-22(21)26/h2-15,18,23-24,27-28H,16-17H2,1H3/p+1/t18-,23+,24+,25-/m1/s1
InChIKeyBEWVWNGYSGPFME-XELASAAXSA-O
XLogP4.70
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.95
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (2S,3R,4R,6S)-4-[(2-chlorophenyl)methyl]-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol with MolForge

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Related Compounds

(2S,3R,4R,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol
CID 7281626
(2S,3S,4S,6S)-3-methyl-2,6-diphenyl-4-propylpiperidin-1-ium-4-ol
CID 11870588
(2R,3R,4S,6S)-4-[(2-chlorophenyl)methyl]-3-methyl-2,6-diphenylpiperidin-4-ol
CID 1333836
4-butyl-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol;2-hydroxy-2-oxoacetate
CID 44656486
(2R,3S,4R,6S)-4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol
CID 7302678
(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
1-[(2-chlorophenyl)methyl]-2-phenylcyclohexan-1-ol
CID 60798196
(2S,3S,4R,6S)-2,6-diphenyl-3-propan-2-yl-4-propylpiperidin-1-ium-4-ol
CID 11876586
(2R,3R,4S,6R)-3-methyl-2,6-bis(4-methylphenyl)-4-prop-2-enylpiperidin-1-ium-4-ol
CID 7480088
(2R,3R,4R,6S)-3-ethyl-2,6-diphenyl-4-prop-2-enylpiperidin-1-ium-4-ol
CID 7112219
3-ethyl-4-(4-fluorophenyl)-2,6-diphenylpiperidin-1-ium-4-ol chloride
CID 44654644

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,6S)-4-[(2-chlorophenyl)methyl]-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol?
The IUPAC name of (2S,3R,4R,6S)-4-[(2-chlorophenyl)methyl]-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol (CID 7364184) is (2S,3R,4R,6S)-4-[(2-chlorophenyl)methyl]-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol.
What is the SMILES notation for (2S,3R,4R,6S)-4-[(2-chlorophenyl)methyl]-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol?
The canonical SMILES for (2S,3R,4R,6S)-4-[(2-chlorophenyl)methyl]-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)Cc1ccccc1Cl.
What is the InChIKey of (2S,3R,4R,6S)-4-[(2-chlorophenyl)methyl]-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol?
The InChIKey is BEWVWNGYSGPFME-XELASAAXSA-O. The full InChI is InChI=1S/C25H26ClNO/c1-18-24(20-12-6-3-7-13-20)27-23(19-10-4-2-5-11-19)17-25(18,28)16-21-14-8-9-15-22(21)26/h2-15,18,23-24,27-28H,16-17H2,1H3/p+1/t18-,23+,24+,25-/m1/s1.
What are the key properties of (2S,3R,4R,6S)-4-[(2-chlorophenyl)methyl]-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol?
(2S,3R,4R,6S)-4-[(2-chlorophenyl)methyl]-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol has a molecular weight of 392.95 g/mol, XLogP of 4.70, 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-[(2-chlorophenyl)methyl]-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol is sourced from PubChem (CID 7364184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).