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

C17H16BrFN2O — CID 1311446

IUPAC(3-bromophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H16BrFN2O/c18-14-5-3-4-13(12-14)17(22)21-10-8-20(9-11-21)16-7-2-1-6-15(16)19/h1-7,12H,8-11H2
InChIKeyWZDAAGOOQWFQMF-UHFFFAOYSA-N
MW363.23 g/mol
LogP3.55
Rot. Bonds2

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

(3-bromophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 1311446) has the molecular formula C17H16BrFN2O and a molecular weight of 363.23 g/mol. Its IUPAC name is (3-bromophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID1311446
Molecular FormulaC17H16BrFN2O
Molecular Weight363.23 g/mol
Exact Mass362.04
IUPAC Name(3-bromophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H16BrFN2O/c18-14-5-3-4-13(12-14)17(22)21-10-8-20(9-11-21)16-7-2-1-6-15(16)19/h1-7,12H,8-11H2
InChIKeyWZDAAGOOQWFQMF-UHFFFAOYSA-N
XLogP3.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.23
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (3-bromophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 1311446) is (3-bromophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is O=C(c1cccc(Br)c1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of (3-bromophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is WZDAAGOOQWFQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O/c18-14-5-3-4-13(12-14)17(22)21-10-8-20(9-11-21)16-7-2-1-6-15(16)19/h1-7,12H,8-11H2.
What are the key properties of (3-bromophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(3-bromophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 363.23 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1311446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).