2-[5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-1-yl]ethanol

C16H22N4O — CID 72851904

IUPAC2-[5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-1-yl]ethanol
SMILESOCCn1ncnc1-c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C16H22N4O/c21-11-10-20-16(17-13-18-20)15-6-4-14(5-7-15)12-19-8-2-1-3-9-19/h4-7,13,21H,1-3,8-12H2
InChIKeyLMRFEGKWUZSEJE-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.92
Rot. Bonds5

About 2-[5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-1-yl]ethanol

2-[5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-1-yl]ethanol (PubChem CID 72851904) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-1-yl]ethanol
PubChem CID72851904
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-1-yl]ethanol
SMILESOCCn1ncnc1-c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C16H22N4O/c21-11-10-20-16(17-13-18-20)15-6-4-14(5-7-15)12-19-8-2-1-3-9-19/h4-7,13,21H,1-3,8-12H2
InChIKeyLMRFEGKWUZSEJE-UHFFFAOYSA-N
XLogP1.92
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-1-yl]ethanol 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 2-[5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-1-yl]ethanol (CID 72851904) is 2-[5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-1-yl]ethanol is OCCn1ncnc1-c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 2-[5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-1-yl]ethanol?
The InChIKey is LMRFEGKWUZSEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c21-11-10-20-16(17-13-18-20)15-6-4-14(5-7-15)12-19-8-2-1-3-9-19/h4-7,13,21H,1-3,8-12H2.
What are the key properties of 2-[5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-1-yl]ethanol?
2-[5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-1-yl]ethanol has a molecular weight of 286.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 72851904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).