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

C17H16ClFN2O — CID 2058947

IUPAC(2-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H16ClFN2O/c18-16-4-2-1-3-15(16)17(22)21-11-9-20(10-12-21)14-7-5-13(19)6-8-14/h1-8H,9-12H2
InChIKeyLKTMISMCGIEWAT-UHFFFAOYSA-N
MW318.78 g/mol
LogP3.44
Rot. Bonds2

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

(2-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 2058947) has the molecular formula C17H16ClFN2O and a molecular weight of 318.78 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID2058947
Molecular FormulaC17H16ClFN2O
Molecular Weight318.78 g/mol
Exact Mass318.09
IUPAC Name(2-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H16ClFN2O/c18-16-4-2-1-3-15(16)17(22)21-11-9-20(10-12-21)14-7-5-13(19)6-8-14/h1-8H,9-12H2
InChIKeyLKTMISMCGIEWAT-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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Related Compounds

Lorcainide
CID 42884
Lorcainide Hydrochloride
CID 6917855
(4-Chloro-3-nitrophenyl)(4-(2-fluorophenyl)piperazin-1-yl)methanone
CID 1334619
2-Chloro-N-methyl-N-phenylbenzamide
CID 587357
1-Benzoyl-4-phenylpiperazine
CID 258240
1-(2-Chloro-5-nitrobenzoyl)-4-phenylpiperazine
CID 710808
Filastatin
CID 2911546
(2-Chloro-5-nitrophenyl)[4-(4-fluorophenyl)-1-piperazinyl]methanone
CID 1104888
[4-(3-Chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 788974
1-(3-Chlorophenyl)-4-(4-methylbenzoyl)piperazine
CID 749123
4-(3-Chlorophenyl)piperazinyl 3-methylphenyl ketone
CID 4006554
1-[4-(4-Fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 710849

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 2058947) is (2-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C(c1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (2-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is LKTMISMCGIEWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O/c18-16-4-2-1-3-15(16)17(22)21-11-9-20(10-12-21)14-7-5-13(19)6-8-14/h1-8H,9-12H2.
What are the key properties of (2-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
(2-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]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 (2-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2058947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).