(2S,3S,4R,5R,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-1-ium-4-ol

C21H28NO+ — CID 7310293

IUPAC(2S,3S,4R,5R,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-1-ium-4-ol
SMILESCCC[C@H]1[C@H](O)[C@@H](C)[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1
InChIInChI=1S/C21H27NO/c1-3-10-18-20(17-13-8-5-9-14-17)22-19(15(2)21(18)23)16-11-6-4-7-12-16/h4-9,11-15,18-23H,3,10H2,1-2H3/p+1/t15-,18+,19-,20+,21+/m0/s1
InChIKeyGCUZTKRRUTYKPX-FZHKGVQDSA-O
MW310.46 g/mol
LogP3.46
Rot. Bonds4

About (2S,3S,4R,5R,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-1-ium-4-ol

(2S,3S,4R,5R,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-1-ium-4-ol (PubChem CID 7310293) has the molecular formula C21H28NO+ and a molecular weight of 310.46 g/mol. Its IUPAC name is (2S,3S,4R,5R,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-1-ium-4-ol.

Molecular Properties

Compound Name(2S,3S,4R,5R,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-1-ium-4-ol
PubChem CID7310293
Molecular FormulaC21H28NO+
Molecular Weight310.46 g/mol
Exact Mass310.22
IUPAC Name(2S,3S,4R,5R,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-1-ium-4-ol
SMILESCCC[C@H]1[C@H](O)[C@@H](C)[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1
InChIInChI=1S/C21H27NO/c1-3-10-18-20(17-13-8-5-9-14-17)22-19(15(2)21(18)23)16-11-6-4-7-12-16/h4-9,11-15,18-23H,3,10H2,1-2H3/p+1/t15-,18+,19-,20+,21+/m0/s1
InChIKeyGCUZTKRRUTYKPX-FZHKGVQDSA-O
XLogP3.46
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (2S,3S,4R,5R,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-1-ium-4-ol with MolForge

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Related Compounds

2,6-diphenyl-3-propylpiperidin-1-ium-4-ol
CID 3611514
(2S,3S,4S,5S,6R)-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol
CID 11895955
(2S,3S,4S,5S,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol
CID 11895959
(2S,3S,5S,6S)-2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-1-ium-4-ol
CID 7310329
(2R,3S,4S,5S,6S)-4-hexyl-3-methyl-2,6-diphenyl-5-propylpiperidin-1-ium-4-ol
CID 11891404
2-methyl-3-phenylcyclopropan-1-ol
CID 100919927
3,5-dimethyl-2,6-diphenylpiperidin-1-ium-4-one
CID 3672350
(2R,3S,5S,6S)-3,5-dimethyl-2,6-diphenylpiperidin-1-ium-4-one
CID 7072936
(2S,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidin-1-ium-3,4-diol
CID 135009649
(2S,3S,4R,5S)-5-butyl-4-iodo-2-phenyloxolan-3-ol
CID 15457978
1-methyl-2,6-diphenyl-3-propylpiperidin-4-ol;hydrochloride
CID 44661232
(2S,3S,4S,6S)-3-methyl-2,6-diphenyl-4-propylpiperidin-1-ium-4-ol
CID 11870588

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-1-ium-4-ol?
The IUPAC name of (2S,3S,4R,5R,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-1-ium-4-ol (CID 7310293) is (2S,3S,4R,5R,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-1-ium-4-ol.
What is the SMILES notation for (2S,3S,4R,5R,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-1-ium-4-ol?
The canonical SMILES for (2S,3S,4R,5R,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-1-ium-4-ol is CCC[C@H]1[C@H](O)[C@@H](C)[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1.
What is the InChIKey of (2S,3S,4R,5R,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-1-ium-4-ol?
The InChIKey is GCUZTKRRUTYKPX-FZHKGVQDSA-O. The full InChI is InChI=1S/C21H27NO/c1-3-10-18-20(17-13-8-5-9-14-17)22-19(15(2)21(18)23)16-11-6-4-7-12-16/h4-9,11-15,18-23H,3,10H2,1-2H3/p+1/t15-,18+,19-,20+,21+/m0/s1.
What are the key properties of (2S,3S,4R,5R,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-1-ium-4-ol?
(2S,3S,4R,5R,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-1-ium-4-ol has a molecular weight of 310.46 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-1-ium-4-ol is sourced from PubChem (CID 7310293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).