(2S,3S,4S,6R)-4-butyl-3-methyl-2,6-diphenylpiperidin-4-ol

C22H29NO — CID 11903564

IUPAC(2S,3S,4S,6R)-4-butyl-3-methyl-2,6-diphenylpiperidin-4-ol
SMILESCCCC[C@]1(O)C[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1C
InChIInChI=1S/C22H29NO/c1-3-4-15-22(24)16-20(18-11-7-5-8-12-18)23-21(17(22)2)19-13-9-6-10-14-19/h5-14,17,20-21,23-24H,3-4,15-16H2,1-2H3/t17-,20+,21-,22-/m0/s1
InChIKeyZVZDFLKBOVMGHJ-XGARDCMYSA-N
MW323.48 g/mol
LogP5.02
Rot. Bonds5

About (2S,3S,4S,6R)-4-butyl-3-methyl-2,6-diphenylpiperidin-4-ol

(2S,3S,4S,6R)-4-butyl-3-methyl-2,6-diphenylpiperidin-4-ol (PubChem CID 11903564) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is (2S,3S,4S,6R)-4-butyl-3-methyl-2,6-diphenylpiperidin-4-ol.

Molecular Properties

Compound Name(2S,3S,4S,6R)-4-butyl-3-methyl-2,6-diphenylpiperidin-4-ol
PubChem CID11903564
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name(2S,3S,4S,6R)-4-butyl-3-methyl-2,6-diphenylpiperidin-4-ol
SMILESCCCC[C@]1(O)C[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1C
InChIInChI=1S/C22H29NO/c1-3-4-15-22(24)16-20(18-11-7-5-8-12-18)23-21(17(22)2)19-13-9-6-10-14-19/h5-14,17,20-21,23-24H,3-4,15-16H2,1-2H3/t17-,20+,21-,22-/m0/s1
InChIKeyZVZDFLKBOVMGHJ-XGARDCMYSA-N
XLogP5.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.48
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,3S,4S,6R)-4-butyl-3-methyl-2,6-diphenylpiperidin-4-ol with MolForge

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Related Compounds

4-butyl-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-ol;hydrochloride
CID 2854780
(2R,3R,4R,6R)-4-benzyl-3-methyl-2,6-diphenylpiperidin-4-ol
CID 124714824
(2R,3R,4S,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-4-ol
CID 98713917
(2S,3R,4S,6R)-2,6-bis(4-chlorophenyl)-3-methyl-4-propylpiperidin-4-ol
CID 2065827
(2R,3S,4R,6R)-3-ethyl-2,6-diphenyl-4-propylpiperidin-4-ol
CID 1230070
(2R,3R,4S,6S)-4-[(2-chlorophenyl)methyl]-3-methyl-2,6-diphenylpiperidin-4-ol
CID 1333836
trans-(1S,2S)-1-butyl-2-phenylcyclopropan-1-ol
CID 101173351
(2S,3S,5S,6S)-3,5-dimethyl-2,6-diphenyl-4-propylpiperidin-4-ol
CID 11877897
(2R,3R,4S,5S,6S)-4-butyl-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol
CID 11887995
(2R,3R,4R,5S,6S)-4-butyl-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol
CID 11887997
(2R,3S,4R,5S,6S)-4-hexyl-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol
CID 11891407
ethyl (4R,5R,7S)-4-methyl-5,7-diphenyl-6-azaspiro[2.5]octane-2-carboxylate
CID 100969299

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,6R)-4-butyl-3-methyl-2,6-diphenylpiperidin-4-ol?
The IUPAC name of (2S,3S,4S,6R)-4-butyl-3-methyl-2,6-diphenylpiperidin-4-ol (CID 11903564) is (2S,3S,4S,6R)-4-butyl-3-methyl-2,6-diphenylpiperidin-4-ol.
What is the SMILES notation for (2S,3S,4S,6R)-4-butyl-3-methyl-2,6-diphenylpiperidin-4-ol?
The canonical SMILES for (2S,3S,4S,6R)-4-butyl-3-methyl-2,6-diphenylpiperidin-4-ol is CCCC[C@]1(O)C[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1C.
What is the InChIKey of (2S,3S,4S,6R)-4-butyl-3-methyl-2,6-diphenylpiperidin-4-ol?
The InChIKey is ZVZDFLKBOVMGHJ-XGARDCMYSA-N. The full InChI is InChI=1S/C22H29NO/c1-3-4-15-22(24)16-20(18-11-7-5-8-12-18)23-21(17(22)2)19-13-9-6-10-14-19/h5-14,17,20-21,23-24H,3-4,15-16H2,1-2H3/t17-,20+,21-,22-/m0/s1.
What are the key properties of (2S,3S,4S,6R)-4-butyl-3-methyl-2,6-diphenylpiperidin-4-ol?
(2S,3S,4S,6R)-4-butyl-3-methyl-2,6-diphenylpiperidin-4-ol has a molecular weight of 323.48 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,6R)-4-butyl-3-methyl-2,6-diphenylpiperidin-4-ol is sourced from PubChem (CID 11903564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).