[4-(2-fluorophenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone

C20H20FN5O — CID 24615761

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(Cn2cncn2)cc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H20FN5O/c21-18-3-1-2-4-19(18)24-9-11-25(12-10-24)20(27)17-7-5-16(6-8-17)13-26-15-22-14-23-26/h1-8,14-15H,9-13H2
InChIKeyGYMKSCQITNKUQU-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.43
Rot. Bonds4

About [4-(2-fluorophenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone

[4-(2-fluorophenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone (PubChem CID 24615761) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
PubChem CID24615761
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(Cn2cncn2)cc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H20FN5O/c21-18-3-1-2-4-19(18)24-9-11-25(12-10-24)20(27)17-7-5-16(6-8-17)13-26-15-22-14-23-26/h1-8,14-15H,9-13H2
InChIKeyGYMKSCQITNKUQU-UHFFFAOYSA-N
XLogP2.43
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone (CID 24615761) is [4-(2-fluorophenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone is O=C(c1ccc(Cn2cncn2)cc1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone?
The InChIKey is GYMKSCQITNKUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c21-18-3-1-2-4-19(18)24-9-11-25(12-10-24)20(27)17-7-5-16(6-8-17)13-26-15-22-14-23-26/h1-8,14-15H,9-13H2.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone has a molecular weight of 365.41 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24615761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).