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

C17H16ClFN2O — CID 1122363

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H16ClFN2O/c18-14-4-2-6-16(12-14)20-7-9-21(10-8-20)17(22)13-3-1-5-15(19)11-13/h1-6,11-12H,7-10H2
InChIKeyHYGDONULCUPJME-UHFFFAOYSA-N
MW318.78 g/mol
LogP3.44
Rot. Bonds2

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

[4-(3-chlorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 1122363) has the molecular formula C17H16ClFN2O and a molecular weight of 318.78 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
PubChem CID1122363
Molecular FormulaC17H16ClFN2O
Molecular Weight318.78 g/mol
Exact Mass318.09
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H16ClFN2O/c18-14-4-2-6-16(12-14)20-7-9-21(10-8-20)17(22)13-3-1-5-15(19)11-13/h1-6,11-12H,7-10H2
InChIKeyHYGDONULCUPJME-UHFFFAOYSA-N
XLogP3.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone (CID 1122363) is [4-(3-chlorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is HYGDONULCUPJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O/c18-14-4-2-6-16(12-14)20-7-9-21(10-8-20)17(22)13-3-1-5-15(19)11-13/h1-6,11-12H,7-10H2.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 318.78 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 1122363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).