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

C24H34N4O2 — CID 46902533

IUPAC(3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-(4-methoxyphenyl)piperidin-3-ol
SMILESCOc1ccc([C@H]2C[C@@H](n3cc(C4CC4)nn3)[C@H](O)CN2CC2CCCCC2)cc1
InChIInChI=1S/C24H34N4O2/c1-30-20-11-9-19(10-12-20)22-13-23(28-15-21(25-26-28)18-7-8-18)24(29)16-27(22)14-17-5-3-2-4-6-17/h9-12,15,17-18,22-24,29H,2-8,13-14,16H2,1H3/t22-,23-,24-/m1/s1
InChIKeyYUNAFMYDWMIAOK-WXFUMESZSA-N
MW410.56 g/mol
LogP4.09
Rot. Bonds6

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

(3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-(4-methoxyphenyl)piperidin-3-ol (PubChem CID 46902533) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is (3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-(4-methoxyphenyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-(4-methoxyphenyl)piperidin-3-ol
PubChem CID46902533
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name(3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-(4-methoxyphenyl)piperidin-3-ol
SMILESCOc1ccc([C@H]2C[C@@H](n3cc(C4CC4)nn3)[C@H](O)CN2CC2CCCCC2)cc1
InChIInChI=1S/C24H34N4O2/c1-30-20-11-9-19(10-12-20)22-13-23(28-15-21(25-26-28)18-7-8-18)24(29)16-27(22)14-17-5-3-2-4-6-17/h9-12,15,17-18,22-24,29H,2-8,13-14,16H2,1H3/t22-,23-,24-/m1/s1
InChIKeyYUNAFMYDWMIAOK-WXFUMESZSA-N
XLogP4.09
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-(4-methoxyphenyl)piperidin-3-ol?
The IUPAC name of (3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-(4-methoxyphenyl)piperidin-3-ol (CID 46902533) is (3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-(4-methoxyphenyl)piperidin-3-ol.
What is the SMILES notation for (3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-(4-methoxyphenyl)piperidin-3-ol?
The canonical SMILES for (3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-(4-methoxyphenyl)piperidin-3-ol is COc1ccc([C@H]2C[C@@H](n3cc(C4CC4)nn3)[C@H](O)CN2CC2CCCCC2)cc1.
What is the InChIKey of (3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-(4-methoxyphenyl)piperidin-3-ol?
The InChIKey is YUNAFMYDWMIAOK-WXFUMESZSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-30-20-11-9-19(10-12-20)22-13-23(28-15-21(25-26-28)18-7-8-18)24(29)16-27(22)14-17-5-3-2-4-6-17/h9-12,15,17-18,22-24,29H,2-8,13-14,16H2,1H3/t22-,23-,24-/m1/s1.
What are the key properties of (3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-(4-methoxyphenyl)piperidin-3-ol?
(3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-(4-methoxyphenyl)piperidin-3-ol has a molecular weight of 410.56 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-(4-methoxyphenyl)piperidin-3-ol is sourced from PubChem (CID 46902533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).