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

C25H35NO — CID 11887997

IUPAC(2R,3R,4R,5S,6S)-4-butyl-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol
SMILESCCCC[C@@]1(O)[C@H](C)[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1CCC
InChIInChI=1S/C25H35NO/c1-4-6-18-25(27)19(3)23(20-14-9-7-10-15-20)26-24(22(25)13-5-2)21-16-11-8-12-17-21/h7-12,14-17,19,22-24,26-27H,4-6,13,18H2,1-3H3/t19-,22+,23-,24-,25-/m1/s1
InChIKeyPOFXFTVXJUYYRI-BHEUDDMMSA-N
MW365.56 g/mol
LogP6.05
Rot. Bonds7

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

(2R,3R,4R,5S,6S)-4-butyl-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol (PubChem CID 11887997) has the molecular formula C25H35NO and a molecular weight of 365.56 g/mol. Its IUPAC name is (2R,3R,4R,5S,6S)-4-butyl-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol.

Molecular Properties

Compound Name(2R,3R,4R,5S,6S)-4-butyl-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol
PubChem CID11887997
Molecular FormulaC25H35NO
Molecular Weight365.56 g/mol
Exact Mass365.27
IUPAC Name(2R,3R,4R,5S,6S)-4-butyl-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol
SMILESCCCC[C@@]1(O)[C@H](C)[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1CCC
InChIInChI=1S/C25H35NO/c1-4-6-18-25(27)19(3)23(20-14-9-7-10-15-20)26-24(22(25)13-5-2)21-16-11-8-12-17-21/h7-12,14-17,19,22-24,26-27H,4-6,13,18H2,1-3H3/t19-,22+,23-,24-,25-/m1/s1
InChIKeyPOFXFTVXJUYYRI-BHEUDDMMSA-N
XLogP6.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.56
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

(2R,3R,4S,5S,6S)-4-butyl-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol
CID 11887995
(2R,3S,4R,5S,6S)-4-hexyl-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol
CID 11891407
(2R,3R,4S,5R,6S)-3-methyl-2,6-diphenyl-4,5-dipropylpiperidin-4-ol
CID 6555448
3,4-dimethyl-2,6-diphenyl-5-propylpiperidin-4-ol;hydrochloride
CID 2879638
(2S,3S,5S,6S)-3,5-dimethyl-2,6-diphenyl-4-propylpiperidin-4-ol
CID 11877897
(2S,3S,4R,5S,6R)-3-methyl-2,6-diphenyl-4-(2-phenylethynyl)-5-propylpiperidin-4-ol
CID 7243099
(2R,3S,4S,5S,6S)-4-hexyl-3-methyl-2,6-diphenyl-5-propylpiperidin-1-ium-4-ol
CID 11891404
(2S,3S,4S,6R)-4-butyl-3-methyl-2,6-diphenylpiperidin-4-ol
CID 11903564
(2S,3R,4R,5R,6R)-2,6-bis(4-chlorophenyl)-3,4-dimethyl-5-propylpiperidin-4-ol
CID 100875032
(2S,3S,5S,6S)-4-benzyl-3,5-dimethyl-2,6-diphenylpiperidin-4-ol
CID 7243060
(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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6S)-4-butyl-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol?
The IUPAC name of (2R,3R,4R,5S,6S)-4-butyl-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol (CID 11887997) is (2R,3R,4R,5S,6S)-4-butyl-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol.
What is the SMILES notation for (2R,3R,4R,5S,6S)-4-butyl-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol?
The canonical SMILES for (2R,3R,4R,5S,6S)-4-butyl-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol is CCCC[C@@]1(O)[C@H](C)[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1CCC.
What is the InChIKey of (2R,3R,4R,5S,6S)-4-butyl-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol?
The InChIKey is POFXFTVXJUYYRI-BHEUDDMMSA-N. The full InChI is InChI=1S/C25H35NO/c1-4-6-18-25(27)19(3)23(20-14-9-7-10-15-20)26-24(22(25)13-5-2)21-16-11-8-12-17-21/h7-12,14-17,19,22-24,26-27H,4-6,13,18H2,1-3H3/t19-,22+,23-,24-,25-/m1/s1.
What are the key properties of (2R,3R,4R,5S,6S)-4-butyl-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol?
(2R,3R,4R,5S,6S)-4-butyl-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol has a molecular weight of 365.56 g/mol, XLogP of 6.05, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6S)-4-butyl-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol is sourced from PubChem (CID 11887997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).