(3-chlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone

C18H18ClFN2O — CID 717254

IUPAC(3-chlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C18H18ClFN2O/c19-16-6-3-5-14(12-16)18(23)22-10-8-21(9-11-22)13-15-4-1-2-7-17(15)20/h1-7,12H,8-11,13H2
InChIKeyUKGTYZAQCVLMAU-UHFFFAOYSA-N
MW332.81 g/mol
LogP3.44
Rot. Bonds3

About (3-chlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone

(3-chlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 717254) has the molecular formula C18H18ClFN2O and a molecular weight of 332.81 g/mol. Its IUPAC name is (3-chlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID717254
Molecular FormulaC18H18ClFN2O
Molecular Weight332.81 g/mol
Exact Mass332.11
IUPAC Name(3-chlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C18H18ClFN2O/c19-16-6-3-5-14(12-16)18(23)22-10-8-21(9-11-22)13-15-4-1-2-7-17(15)20/h1-7,12H,8-11,13H2
InChIKeyUKGTYZAQCVLMAU-UHFFFAOYSA-N
XLogP3.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-chlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]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 (3-chlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone (CID 717254) is (3-chlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone is O=C(c1cccc(Cl)c1)N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of (3-chlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is UKGTYZAQCVLMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O/c19-16-6-3-5-14(12-16)18(23)22-10-8-21(9-11-22)13-15-4-1-2-7-17(15)20/h1-7,12H,8-11,13H2.
What are the key properties of (3-chlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
(3-chlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 332.81 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 717254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).