1-(cyclohexylmethyl)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methylphenyl)piperidin-4-ol

C24H34N4O — CID 75248204

IUPAC1-(cyclohexylmethyl)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methylphenyl)piperidin-4-ol
SMILESCc1ccc(C2CC(O)C(n3cc(C4CC4)nn3)CN2CC2CCCCC2)cc1
InChIInChI=1S/C24H34N4O/c1-17-7-9-20(10-8-17)22-13-24(29)23(28-15-21(25-26-28)19-11-12-19)16-27(22)14-18-5-3-2-4-6-18/h7-10,15,18-19,22-24,29H,2-6,11-14,16H2,1H3
InChIKeyQFKTVSIMNBHXAU-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.39
Rot. Bonds5

About 1-(cyclohexylmethyl)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methylphenyl)piperidin-4-ol

1-(cyclohexylmethyl)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methylphenyl)piperidin-4-ol (PubChem CID 75248204) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methylphenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methylphenyl)piperidin-4-ol
PubChem CID75248204
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC Name1-(cyclohexylmethyl)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methylphenyl)piperidin-4-ol
SMILESCc1ccc(C2CC(O)C(n3cc(C4CC4)nn3)CN2CC2CCCCC2)cc1
InChIInChI=1S/C24H34N4O/c1-17-7-9-20(10-8-17)22-13-24(29)23(28-15-21(25-26-28)19-11-12-19)16-27(22)14-18-5-3-2-4-6-18/h7-10,15,18-19,22-24,29H,2-6,11-14,16H2,1H3
InChIKeyQFKTVSIMNBHXAU-UHFFFAOYSA-N
XLogP4.39
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methylphenyl)piperidin-4-ol?
The IUPAC name of 1-(cyclohexylmethyl)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methylphenyl)piperidin-4-ol (CID 75248204) is 1-(cyclohexylmethyl)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methylphenyl)piperidin-4-ol.
What is the SMILES notation for 1-(cyclohexylmethyl)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methylphenyl)piperidin-4-ol?
The canonical SMILES for 1-(cyclohexylmethyl)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methylphenyl)piperidin-4-ol is Cc1ccc(C2CC(O)C(n3cc(C4CC4)nn3)CN2CC2CCCCC2)cc1.
What is the InChIKey of 1-(cyclohexylmethyl)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methylphenyl)piperidin-4-ol?
The InChIKey is QFKTVSIMNBHXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O/c1-17-7-9-20(10-8-17)22-13-24(29)23(28-15-21(25-26-28)19-11-12-19)16-27(22)14-18-5-3-2-4-6-18/h7-10,15,18-19,22-24,29H,2-6,11-14,16H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methylphenyl)piperidin-4-ol?
1-(cyclohexylmethyl)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methylphenyl)piperidin-4-ol has a molecular weight of 394.56 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methylphenyl)piperidin-4-ol is sourced from PubChem (CID 75248204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).