[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone

C23H22FN3O — CID 134804045

IUPAC[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCN(Cc2ccccc2-c2ccccc2F)CC1
InChIInChI=1S/C23H22FN3O/c24-21-10-4-3-9-20(21)19-8-2-1-7-18(19)17-26-13-15-27(16-14-26)23(28)22-11-5-6-12-25-22/h1-12H,13-17H2
InChIKeyFMUWYWLTGHITRZ-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.85
Rot. Bonds4

About [4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone

[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone (PubChem CID 134804045) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is [4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone
PubChem CID134804045
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCN(Cc2ccccc2-c2ccccc2F)CC1
InChIInChI=1S/C23H22FN3O/c24-21-10-4-3-9-20(21)19-8-2-1-7-18(19)17-26-13-15-27(16-14-26)23(28)22-11-5-6-12-25-22/h1-12H,13-17H2
InChIKeyFMUWYWLTGHITRZ-UHFFFAOYSA-N
XLogP3.85
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone (CID 134804045) is [4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCN(Cc2ccccc2-c2ccccc2F)CC1.
What is the InChIKey of [4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is FMUWYWLTGHITRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O/c24-21-10-4-3-9-20(21)19-8-2-1-7-18(19)17-26-13-15-27(16-14-26)23(28)22-11-5-6-12-25-22/h1-12H,13-17H2.
What are the key properties of [4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone?
[4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 375.45 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 134804045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).