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

C17H16ClFN2O — CID 720118

IUPAC(4-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H16ClFN2O/c18-14-3-1-13(2-4-14)17(22)21-11-9-20(10-12-21)16-7-5-15(19)6-8-16/h1-8H,9-12H2
InChIKeyNZFSITISISONCP-UHFFFAOYSA-N
MW318.78 g/mol
LogP3.44
Rot. Bonds2

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

(4-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 720118) has the molecular formula C17H16ClFN2O and a molecular weight of 318.78 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID720118
Molecular FormulaC17H16ClFN2O
Molecular Weight318.78 g/mol
Exact Mass318.09
IUPAC Name(4-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H16ClFN2O/c18-14-3-1-13(2-4-14)17(22)21-11-9-20(10-12-21)16-7-5-15(19)6-8-16/h1-8H,9-12H2
InChIKeyNZFSITISISONCP-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-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 720118) is (4-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is NZFSITISISONCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O/c18-14-3-1-13(2-4-14)17(22)21-11-9-20(10-12-21)16-7-5-15(19)6-8-16/h1-8H,9-12H2.
What are the key properties of (4-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
(4-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 (4-chlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 720118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).