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

C17H16F2N2O — CID 798980

IUPAC(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H16F2N2O/c18-13-5-7-14(8-6-13)20-9-11-21(12-10-20)17(22)15-3-1-2-4-16(15)19/h1-8H,9-12H2
InChIKeyZQYGZNGTMUFVBT-UHFFFAOYSA-N
MW302.32 g/mol
LogP2.93
Rot. Bonds2

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

(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 798980) has the molecular formula C17H16F2N2O and a molecular weight of 302.32 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID798980
Molecular FormulaC17H16F2N2O
Molecular Weight302.32 g/mol
Exact Mass302.12
IUPAC Name(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H16F2N2O/c18-13-5-7-14(8-6-13)20-9-11-21(12-10-20)17(22)15-3-1-2-4-16(15)19/h1-8H,9-12H2
InChIKeyZQYGZNGTMUFVBT-UHFFFAOYSA-N
XLogP2.93
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17273892
[4-(2,6-difluorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 113081228
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 33466238
(3-amino-2-methylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 28723150
[4-(4-fluorophenyl)piperazin-1-yl]-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84575308
2-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzonitrile
CID 51197855
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 110766155
2-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
CID 4309952
1-benzothiophen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 17191275
[4-(4-fluorophenyl)piperazin-1-yl]-[2-(2-phenoxyethoxy)phenyl]methanone
CID 46797418
[4-(4-fluorophenyl)piperazin-1-yl]-(2-propylsulfanylphenyl)methanone
CID 6458145

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 798980) is (2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C(c1ccccc1F)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is ZQYGZNGTMUFVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O/c18-13-5-7-14(8-6-13)20-9-11-21(12-10-20)17(22)15-3-1-2-4-16(15)19/h1-8H,9-12H2.
What are the key properties of (2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 302.32 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 798980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).