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

C16H21FN4O — CID 56780633

IUPAC1-(2-fluorophenyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol
SMILESOC(CN1CCCCC1Cn1cncn1)c1ccccc1F
InChIInChI=1S/C16H21FN4O/c17-15-7-2-1-6-14(15)16(22)10-20-8-4-3-5-13(20)9-21-12-18-11-19-21/h1-2,6-7,11-13,16,22H,3-5,8-10H2
InChIKeyYDZWALQFDNFSSX-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.01
Rot. Bonds5

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

1-(2-fluorophenyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol (PubChem CID 56780633) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol
PubChem CID56780633
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Name1-(2-fluorophenyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol
SMILESOC(CN1CCCCC1Cn1cncn1)c1ccccc1F
InChIInChI=1S/C16H21FN4O/c17-15-7-2-1-6-14(15)16(22)10-20-8-4-3-5-13(20)9-21-12-18-11-19-21/h1-2,6-7,11-13,16,22H,3-5,8-10H2
InChIKeyYDZWALQFDNFSSX-UHFFFAOYSA-N
XLogP2.01
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-fluorophenyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-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 1-(2-fluorophenyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol (CID 56780633) is 1-(2-fluorophenyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol is OC(CN1CCCCC1Cn1cncn1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol?
The InChIKey is YDZWALQFDNFSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O/c17-15-7-2-1-6-14(15)16(22)10-20-8-4-3-5-13(20)9-21-12-18-11-19-21/h1-2,6-7,11-13,16,22H,3-5,8-10H2.
What are the key properties of 1-(2-fluorophenyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol?
1-(2-fluorophenyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol has a molecular weight of 304.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol is sourced from PubChem (CID 56780633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).