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

C16H16FN3O — CID 2164976

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H16FN3O/c17-14-1-3-15(4-2-14)19-9-11-20(12-10-19)16(21)13-5-7-18-8-6-13/h1-8H,9-12H2
InChIKeyFMXHGDXIHWMCMX-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.18
Rot. Bonds2

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

[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-4-ylmethanone (PubChem CID 2164976) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-4-ylmethanone
PubChem CID2164976
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H16FN3O/c17-14-1-3-15(4-2-14)19-9-11-20(12-10-19)16(21)13-5-7-18-8-6-13/h1-8H,9-12H2
InChIKeyFMXHGDXIHWMCMX-UHFFFAOYSA-N
XLogP2.18
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(4-fluorophenyl)piperazin-1-yl]-pyridin-4-ylmethanone 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)piperazin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-pyridin-4-ylmethanone (CID 2164976) is [4-(4-fluorophenyl)piperazin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is FMXHGDXIHWMCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c17-14-1-3-15(4-2-14)19-9-11-20(12-10-19)16(21)13-5-7-18-8-6-13/h1-8H,9-12H2.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-pyridin-4-ylmethanone?
[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 285.32 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 2164976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).