[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(4-fluorophenyl)methanone

C16H15ClFN3O — CID 4202484

IUPAC[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(c2cccc(Cl)n2)CC1
InChIInChI=1S/C16H15ClFN3O/c17-14-2-1-3-15(19-14)20-8-10-21(11-9-20)16(22)12-4-6-13(18)7-5-12/h1-7H,8-11H2
InChIKeySLEADZJXIWHDQQ-UHFFFAOYSA-N
MW319.77 g/mol
LogP2.84
Rot. Bonds2

About [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(4-fluorophenyl)methanone

[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 4202484) has the molecular formula C16H15ClFN3O and a molecular weight of 319.77 g/mol. Its IUPAC name is [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(4-fluorophenyl)methanone
PubChem CID4202484
Molecular FormulaC16H15ClFN3O
Molecular Weight319.77 g/mol
Exact Mass319.09
IUPAC Name[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(c2cccc(Cl)n2)CC1
InChIInChI=1S/C16H15ClFN3O/c17-14-2-1-3-15(19-14)20-8-10-21(11-9-20)16(22)12-4-6-13(18)7-5-12/h1-7H,8-11H2
InChIKeySLEADZJXIWHDQQ-UHFFFAOYSA-N
XLogP2.84
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(4-fluorophenyl)methanone 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-(6-chloro-2-pyridinyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(4-fluorophenyl)methanone (CID 4202484) is [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCN(c2cccc(Cl)n2)CC1.
What is the InChIKey of [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is SLEADZJXIWHDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O/c17-14-2-1-3-15(19-14)20-8-10-21(11-9-20)16(22)12-4-6-13(18)7-5-12/h1-7H,8-11H2.
What are the key properties of [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 319.77 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 4202484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).