(3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-phenylpiperidin-3-ol

C23H32N4O — CID 46902507

IUPAC(3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-phenylpiperidin-3-ol
SMILESO[C@@H]1CN(CC2CCCCC2)[C@@H](c2ccccc2)C[C@H]1n1cc(C2CC2)nn1
InChIInChI=1S/C23H32N4O/c28-23-16-26(14-17-7-3-1-4-8-17)21(19-9-5-2-6-10-19)13-22(23)27-15-20(24-25-27)18-11-12-18/h2,5-6,9-10,15,17-18,21-23,28H,1,3-4,7-8,11-14,16H2/t21-,22-,23-/m1/s1
InChIKeyRPLSDUZTQXIMPH-DNVJHFABSA-N
MW380.54 g/mol
LogP4.08
Rot. Bonds5

About (3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-phenylpiperidin-3-ol

(3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-phenylpiperidin-3-ol (PubChem CID 46902507) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is (3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-phenylpiperidin-3-ol.

Molecular Properties

Compound Name(3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-phenylpiperidin-3-ol
PubChem CID46902507
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name(3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-phenylpiperidin-3-ol
SMILESO[C@@H]1CN(CC2CCCCC2)[C@@H](c2ccccc2)C[C@H]1n1cc(C2CC2)nn1
InChIInChI=1S/C23H32N4O/c28-23-16-26(14-17-7-3-1-4-8-17)21(19-9-5-2-6-10-19)13-22(23)27-15-20(24-25-27)18-11-12-18/h2,5-6,9-10,15,17-18,21-23,28H,1,3-4,7-8,11-14,16H2/t21-,22-,23-/m1/s1
InChIKeyRPLSDUZTQXIMPH-DNVJHFABSA-N
XLogP4.08
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-phenylpiperidin-3-ol with MolForge

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Related Compounds

1-(cyclohexylmethyl)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methylphenyl)piperidin-4-ol
CID 75248204
[1-[1-(cyclohexylmethyl)-5-hydroxy-2-phenylpiperidin-4-yl]triazol-4-yl]methyl benzoate
CID 75248127
[1-[(2R,4R,5R)-1-(cyclohexylmethyl)-5-hydroxy-2-(4-methylphenyl)piperidin-4-yl]triazol-4-yl]methyl benzoate
CID 46902514
(3R,4R,6R)-4-(4-cyclopropyltriazol-1-yl)-1-hexyl-6-(4-methylphenyl)piperidin-3-ol
CID 46902513
(3R,4R,6R)-6-(4-chlorophenyl)-4-(4-cyclopropyltriazol-1-yl)-1-hexylpiperidin-3-ol
CID 46902521
[1-[(3S,4S,6R)-1-(cyclohexylmethyl)-4-hydroxy-6-(4-methylphenyl)piperidin-3-yl]triazol-4-yl]methyl benzoate
CID 46902713
1-(cyclopentylmethyl)-2-phenyl-5-propan-2-ylpiperazine
CID 64840410
[5-(4-cyclopropyltriazol-1-yl)-4-hydroxy-2-(4-methylphenyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 75248165
1,4-dicyclohexyltriazole
CID 46204135
[1-[(3R,4R,6R)-1-(cyclohexanecarbonyl)-4-hydroxy-6-phenylpiperidin-3-yl]triazol-4-yl]methyl benzoate
CID 46903182
1-(cyclobutylmethyl)-5-ethyl-2-phenylpiperazine
CID 64935193
[5-(4-cyclopropyltriazol-1-yl)-4-hydroxy-2-(4-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 75248182

Frequently Asked Questions

What is the IUPAC name of (3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-phenylpiperidin-3-ol?
The IUPAC name of (3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-phenylpiperidin-3-ol (CID 46902507) is (3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-phenylpiperidin-3-ol.
What is the SMILES notation for (3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-phenylpiperidin-3-ol?
The canonical SMILES for (3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-phenylpiperidin-3-ol is O[C@@H]1CN(CC2CCCCC2)[C@@H](c2ccccc2)C[C@H]1n1cc(C2CC2)nn1.
What is the InChIKey of (3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-phenylpiperidin-3-ol?
The InChIKey is RPLSDUZTQXIMPH-DNVJHFABSA-N. The full InChI is InChI=1S/C23H32N4O/c28-23-16-26(14-17-7-3-1-4-8-17)21(19-9-5-2-6-10-19)13-22(23)27-15-20(24-25-27)18-11-12-18/h2,5-6,9-10,15,17-18,21-23,28H,1,3-4,7-8,11-14,16H2/t21-,22-,23-/m1/s1.
What are the key properties of (3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-phenylpiperidin-3-ol?
(3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-phenylpiperidin-3-ol has a molecular weight of 380.54 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-phenylpiperidin-3-ol is sourced from PubChem (CID 46902507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).