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

C21H28NO+ — CID 11870588

IUPAC(2S,3S,4S,6S)-3-methyl-2,6-diphenyl-4-propylpiperidin-1-ium-4-ol
SMILESCCC[C@]1(O)C[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1C
InChIInChI=1S/C21H27NO/c1-3-14-21(23)15-19(17-10-6-4-7-11-17)22-20(16(21)2)18-12-8-5-9-13-18/h4-13,16,19-20,22-23H,3,14-15H2,1-2H3/p+1/t16-,19-,20-,21-/m0/s1
InChIKeyLNIGRARLURFSQQ-FIRPJDEBSA-O
MW310.46 g/mol
LogP3.60
Rot. Bonds4

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

(2S,3S,4S,6S)-3-methyl-2,6-diphenyl-4-propylpiperidin-1-ium-4-ol (PubChem CID 11870588) has the molecular formula C21H28NO+ and a molecular weight of 310.46 g/mol. Its IUPAC name is (2S,3S,4S,6S)-3-methyl-2,6-diphenyl-4-propylpiperidin-1-ium-4-ol.

Molecular Properties

Compound Name(2S,3S,4S,6S)-3-methyl-2,6-diphenyl-4-propylpiperidin-1-ium-4-ol
PubChem CID11870588
Molecular FormulaC21H28NO+
Molecular Weight310.46 g/mol
Exact Mass310.22
IUPAC Name(2S,3S,4S,6S)-3-methyl-2,6-diphenyl-4-propylpiperidin-1-ium-4-ol
SMILESCCC[C@]1(O)C[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1C
InChIInChI=1S/C21H27NO/c1-3-14-21(23)15-19(17-10-6-4-7-11-17)22-20(16(21)2)18-12-8-5-9-13-18/h4-13,16,19-20,22-23H,3,14-15H2,1-2H3/p+1/t16-,19-,20-,21-/m0/s1
InChIKeyLNIGRARLURFSQQ-FIRPJDEBSA-O
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

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Related Compounds

4-butyl-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol;2-hydroxy-2-oxoacetate
CID 44656486
(2S,3S,4S,6R)-2,6-bis(4-methoxyphenyl)-3-methyl-4-propylpiperidin-1-ium-4-ol
CID 11877186
(2S,3R,4R,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol
CID 7281626
(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
(2S,3R,4R,6S)-4-benzyl-2,6-diphenyl-3-propylpiperidin-1-ium-4-ol
CID 7281617
(2R,3R,4R,6S)-4-benzyl-2,6-diphenyl-3-propylpiperidin-1-ium-4-ol
CID 7281613
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
(2R,3S,4R,6S)-3-ethyl-4-(2-methylprop-2-enyl)-2,6-diphenylpiperidin-1-ium-4-ol
CID 7232625
(2R,3R,4R,6S)-3-ethyl-2,6-diphenyl-4-prop-2-enylpiperidin-1-ium-4-ol
CID 7112219
(2S,3S,4R,6S)-1,3-dimethyl-2,6-diphenyl-4-propylpiperidin-4-ol
CID 11904896

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,6S)-3-methyl-2,6-diphenyl-4-propylpiperidin-1-ium-4-ol?
The IUPAC name of (2S,3S,4S,6S)-3-methyl-2,6-diphenyl-4-propylpiperidin-1-ium-4-ol (CID 11870588) is (2S,3S,4S,6S)-3-methyl-2,6-diphenyl-4-propylpiperidin-1-ium-4-ol.
What is the SMILES notation for (2S,3S,4S,6S)-3-methyl-2,6-diphenyl-4-propylpiperidin-1-ium-4-ol?
The canonical SMILES for (2S,3S,4S,6S)-3-methyl-2,6-diphenyl-4-propylpiperidin-1-ium-4-ol is CCC[C@]1(O)C[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1C.
What is the InChIKey of (2S,3S,4S,6S)-3-methyl-2,6-diphenyl-4-propylpiperidin-1-ium-4-ol?
The InChIKey is LNIGRARLURFSQQ-FIRPJDEBSA-O. The full InChI is InChI=1S/C21H27NO/c1-3-14-21(23)15-19(17-10-6-4-7-11-17)22-20(16(21)2)18-12-8-5-9-13-18/h4-13,16,19-20,22-23H,3,14-15H2,1-2H3/p+1/t16-,19-,20-,21-/m0/s1.
What are the key properties of (2S,3S,4S,6S)-3-methyl-2,6-diphenyl-4-propylpiperidin-1-ium-4-ol?
(2S,3S,4S,6S)-3-methyl-2,6-diphenyl-4-propylpiperidin-1-ium-4-ol has a molecular weight of 310.46 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,6S)-3-methyl-2,6-diphenyl-4-propylpiperidin-1-ium-4-ol is sourced from PubChem (CID 11870588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).