1-[[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol

C15H27N5O — CID 70772748

IUPAC1-[[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
SMILESCN1CCC(c2nnc(CN3CCC(O)CC3)n2C)CC1
InChIInChI=1S/C15H27N5O/c1-18-7-3-12(4-8-18)15-17-16-14(19(15)2)11-20-9-5-13(21)6-10-20/h12-13,21H,3-11H2,1-2H3
InChIKeyQPVUXYJSOOAQLO-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.58
Rot. Bonds3

About 1-[[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol

1-[[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol (PubChem CID 70772748) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
PubChem CID70772748
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name1-[[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
SMILESCN1CCC(c2nnc(CN3CCC(O)CC3)n2C)CC1
InChIInChI=1S/C15H27N5O/c1-18-7-3-12(4-8-18)15-17-16-14(19(15)2)11-20-9-5-13(21)6-10-20/h12-13,21H,3-11H2,1-2H3
InChIKeyQPVUXYJSOOAQLO-UHFFFAOYSA-N
XLogP0.58
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-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 1-[[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol (CID 70772748) is 1-[[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol is CN1CCC(c2nnc(CN3CCC(O)CC3)n2C)CC1.
What is the InChIKey of 1-[[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
The InChIKey is QPVUXYJSOOAQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-18-7-3-12(4-8-18)15-17-16-14(19(15)2)11-20-9-5-13(21)6-10-20/h12-13,21H,3-11H2,1-2H3.
What are the key properties of 1-[[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
1-[[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol has a molecular weight of 293.41 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 70772748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).