(2S,3S,4R,6S)-1,3-dimethyl-2,6-diphenyl-4-propylpiperidin-4-ol

C22H29NO — CID 11904896

IUPAC(2S,3S,4R,6S)-1,3-dimethyl-2,6-diphenyl-4-propylpiperidin-4-ol
SMILESCCC[C@@]1(O)C[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)[C@@H]1C
InChIInChI=1S/C22H29NO/c1-4-15-22(24)16-20(18-11-7-5-8-12-18)23(3)21(17(22)2)19-13-9-6-10-14-19/h5-14,17,20-21,24H,4,15-16H2,1-3H3/t17-,20-,21-,22+/m0/s1
InChIKeyWIWFYRAALDRLRH-AGOPTVSRSA-N
MW323.48 g/mol
LogP4.97
Rot. Bonds4

About (2S,3S,4R,6S)-1,3-dimethyl-2,6-diphenyl-4-propylpiperidin-4-ol

(2S,3S,4R,6S)-1,3-dimethyl-2,6-diphenyl-4-propylpiperidin-4-ol (PubChem CID 11904896) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is (2S,3S,4R,6S)-1,3-dimethyl-2,6-diphenyl-4-propylpiperidin-4-ol.

Molecular Properties

Compound Name(2S,3S,4R,6S)-1,3-dimethyl-2,6-diphenyl-4-propylpiperidin-4-ol
PubChem CID11904896
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name(2S,3S,4R,6S)-1,3-dimethyl-2,6-diphenyl-4-propylpiperidin-4-ol
SMILESCCC[C@@]1(O)C[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)[C@@H]1C
InChIInChI=1S/C22H29NO/c1-4-15-22(24)16-20(18-11-7-5-8-12-18)23(3)21(17(22)2)19-13-9-6-10-14-19/h5-14,17,20-21,24H,4,15-16H2,1-3H3/t17-,20-,21-,22+/m0/s1
InChIKeyWIWFYRAALDRLRH-AGOPTVSRSA-N
XLogP4.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

(2R,3R,5R,6R)-1,3,5-trimethyl-2,6-diphenyl-4-propylpiperidin-4-ol
CID 124823280
(2R,3R,4R,6S)-1-methyl-3-pentyl-2,4,6-triphenylpiperidin-4-ol
CID 51411847
(2S,3S,4S,6S)-3-methyl-2,6-diphenyl-4-propylpiperidin-1-ium-4-ol
CID 11870588
(2S,3S,4R,6S)-1-methyl-2,4,6-triphenyl-3-propan-2-ylpiperidin-4-ol
CID 7451838
(2S,3S,5R,6R)-1,3,5-trimethyl-2,6-diphenyl-4-propan-2-ylpiperidin-4-ol
CID 7112212
(2R,3S,5S,6S)-4-benzyl-1,3,5-trimethyl-2,6-diphenylpiperidin-4-ol
CID 7358357
(2S,6S)-4-ethynyl-1-methyl-2,6-diphenylpiperidin-4-ol
CID 95906179
1,3-dimethyl-2,6-diphenylpiperidin-4-ol
CID 2729803
(2R,3S,4S,6S)-1,3-dimethyl-2,6-diphenylpiperidin-4-ol
CID 6541757
1-methyl-2,6-diphenyl-3-propylpiperidin-4-ol;hydrochloride
CID 44661232
trans-(1S,2S)-1-butyl-2-phenylcyclopropan-1-ol
CID 101173351
(NE)-N-[(2S,3R,6R)-1-methyl-3-pentyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
CID 98645698

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,6S)-1,3-dimethyl-2,6-diphenyl-4-propylpiperidin-4-ol?
The IUPAC name of (2S,3S,4R,6S)-1,3-dimethyl-2,6-diphenyl-4-propylpiperidin-4-ol (CID 11904896) is (2S,3S,4R,6S)-1,3-dimethyl-2,6-diphenyl-4-propylpiperidin-4-ol.
What is the SMILES notation for (2S,3S,4R,6S)-1,3-dimethyl-2,6-diphenyl-4-propylpiperidin-4-ol?
The canonical SMILES for (2S,3S,4R,6S)-1,3-dimethyl-2,6-diphenyl-4-propylpiperidin-4-ol is CCC[C@@]1(O)C[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)[C@@H]1C.
What is the InChIKey of (2S,3S,4R,6S)-1,3-dimethyl-2,6-diphenyl-4-propylpiperidin-4-ol?
The InChIKey is WIWFYRAALDRLRH-AGOPTVSRSA-N. The full InChI is InChI=1S/C22H29NO/c1-4-15-22(24)16-20(18-11-7-5-8-12-18)23(3)21(17(22)2)19-13-9-6-10-14-19/h5-14,17,20-21,24H,4,15-16H2,1-3H3/t17-,20-,21-,22+/m0/s1.
What are the key properties of (2S,3S,4R,6S)-1,3-dimethyl-2,6-diphenyl-4-propylpiperidin-4-ol?
(2S,3S,4R,6S)-1,3-dimethyl-2,6-diphenyl-4-propylpiperidin-4-ol has a molecular weight of 323.48 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,6S)-1,3-dimethyl-2,6-diphenyl-4-propylpiperidin-4-ol is sourced from PubChem (CID 11904896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).