4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-4-ol

C15H20N4O — CID 155958375

IUPAC4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-4-ol
SMILESCc1ccc(-c2cn(CC3(O)CCNCC3)nn2)cc1
InChIInChI=1S/C15H20N4O/c1-12-2-4-13(5-3-12)14-10-19(18-17-14)11-15(20)6-8-16-9-7-15/h2-5,10,16,20H,6-9,11H2,1H3
InChIKeyRPDVYWHSCRXWEI-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.37
Rot. Bonds3

About 4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-4-ol

4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-4-ol (PubChem CID 155958375) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-4-ol
PubChem CID155958375
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-4-ol
SMILESCc1ccc(-c2cn(CC3(O)CCNCC3)nn2)cc1
InChIInChI=1S/C15H20N4O/c1-12-2-4-13(5-3-12)14-10-19(18-17-14)11-15(20)6-8-16-9-7-15/h2-5,10,16,20H,6-9,11H2,1H3
InChIKeyRPDVYWHSCRXWEI-UHFFFAOYSA-N
XLogP1.37
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-4-ol?
The IUPAC name of 4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-4-ol (CID 155958375) is 4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-4-ol?
The canonical SMILES for 4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-4-ol is Cc1ccc(-c2cn(CC3(O)CCNCC3)nn2)cc1.
What is the InChIKey of 4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-4-ol?
The InChIKey is RPDVYWHSCRXWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12-2-4-13(5-3-12)14-10-19(18-17-14)11-15(20)6-8-16-9-7-15/h2-5,10,16,20H,6-9,11H2,1H3.
What are the key properties of 4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-4-ol?
4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-4-ol has a molecular weight of 272.35 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 155958375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).