2-methyl-4-(4-methylphenyl)-6-(2H-triazol-4-yl)piperidin-4-ol

C15H20N4O — CID 170108311

IUPAC2-methyl-4-(4-methylphenyl)-6-(2H-triazol-4-yl)piperidin-4-ol
SMILESCc1ccc(C2(O)CC(C)NC(c3cn[nH]n3)C2)cc1
InChIInChI=1S/C15H20N4O/c1-10-3-5-12(6-4-10)15(20)7-11(2)17-13(8-15)14-9-16-19-18-14/h3-6,9,11,13,17,20H,7-8H2,1-2H3,(H,16,18,19)
InChIKeyABFGACRMQMVJDL-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.81
Rot. Bonds2

About 2-methyl-4-(4-methylphenyl)-6-(2H-triazol-4-yl)piperidin-4-ol

2-methyl-4-(4-methylphenyl)-6-(2H-triazol-4-yl)piperidin-4-ol (PubChem CID 170108311) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-methyl-4-(4-methylphenyl)-6-(2H-triazol-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name2-methyl-4-(4-methylphenyl)-6-(2H-triazol-4-yl)piperidin-4-ol
PubChem CID170108311
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-methyl-4-(4-methylphenyl)-6-(2H-triazol-4-yl)piperidin-4-ol
SMILESCc1ccc(C2(O)CC(C)NC(c3cn[nH]n3)C2)cc1
InChIInChI=1S/C15H20N4O/c1-10-3-5-12(6-4-10)15(20)7-11(2)17-13(8-15)14-9-16-19-18-14/h3-6,9,11,13,17,20H,7-8H2,1-2H3,(H,16,18,19)
InChIKeyABFGACRMQMVJDL-UHFFFAOYSA-N
XLogP1.81
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylphenyl)-6-(2H-triazol-4-yl)piperidin-4-ol?
The IUPAC name of 2-methyl-4-(4-methylphenyl)-6-(2H-triazol-4-yl)piperidin-4-ol (CID 170108311) is 2-methyl-4-(4-methylphenyl)-6-(2H-triazol-4-yl)piperidin-4-ol.
What is the SMILES notation for 2-methyl-4-(4-methylphenyl)-6-(2H-triazol-4-yl)piperidin-4-ol?
The canonical SMILES for 2-methyl-4-(4-methylphenyl)-6-(2H-triazol-4-yl)piperidin-4-ol is Cc1ccc(C2(O)CC(C)NC(c3cn[nH]n3)C2)cc1.
What is the InChIKey of 2-methyl-4-(4-methylphenyl)-6-(2H-triazol-4-yl)piperidin-4-ol?
The InChIKey is ABFGACRMQMVJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-3-5-12(6-4-10)15(20)7-11(2)17-13(8-15)14-9-16-19-18-14/h3-6,9,11,13,17,20H,7-8H2,1-2H3,(H,16,18,19).
What are the key properties of 2-methyl-4-(4-methylphenyl)-6-(2H-triazol-4-yl)piperidin-4-ol?
2-methyl-4-(4-methylphenyl)-6-(2H-triazol-4-yl)piperidin-4-ol has a molecular weight of 272.35 g/mol, XLogP of 1.81, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylphenyl)-6-(2H-triazol-4-yl)piperidin-4-ol is sourced from PubChem (CID 170108311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).