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

C15H19FN4O — CID 91834846

IUPAC4-(4-fluorophenyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
SMILESCc1nc(CN2CCC(O)(c3ccc(F)cc3)CC2)n[nH]1
InChIInChI=1S/C15H19FN4O/c1-11-17-14(19-18-11)10-20-8-6-15(21,7-9-20)12-2-4-13(16)5-3-12/h2-5,21H,6-10H2,1H3,(H,17,18,19)
InChIKeySZONFVOMPAHRIU-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.74
Rot. Bonds3

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

4-(4-fluorophenyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-ol (PubChem CID 91834846) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
PubChem CID91834846
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name4-(4-fluorophenyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
SMILESCc1nc(CN2CCC(O)(c3ccc(F)cc3)CC2)n[nH]1
InChIInChI=1S/C15H19FN4O/c1-11-17-14(19-18-11)10-20-8-6-15(21,7-9-20)12-2-4-13(16)5-3-12/h2-5,21H,6-10H2,1H3,(H,17,18,19)
InChIKeySZONFVOMPAHRIU-UHFFFAOYSA-N
XLogP1.74
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-fluorophenyl)-1-[(5-methyl-1H-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 4-(4-fluorophenyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-(4-fluorophenyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-ol (CID 91834846) is 4-(4-fluorophenyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-fluorophenyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(4-fluorophenyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-ol is Cc1nc(CN2CCC(O)(c3ccc(F)cc3)CC2)n[nH]1.
What is the InChIKey of 4-(4-fluorophenyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-ol?
The InChIKey is SZONFVOMPAHRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-11-17-14(19-18-11)10-20-8-6-15(21,7-9-20)12-2-4-13(16)5-3-12/h2-5,21H,6-10H2,1H3,(H,17,18,19).
What are the key properties of 4-(4-fluorophenyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-ol?
4-(4-fluorophenyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-ol has a molecular weight of 290.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 91834846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).