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

C17H15F3N2O — CID 86345157

IUPAC[4-(3,4-difluorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCN(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H15F3N2O/c18-13-3-1-2-12(10-13)17(23)22-8-6-21(7-9-22)14-4-5-15(19)16(20)11-14/h1-5,10-11H,6-9H2
InChIKeyJKOXLRWWOUZDMG-UHFFFAOYSA-N
MW320.31 g/mol
LogP3.07
Rot. Bonds2

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

[4-(3,4-difluorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 86345157) has the molecular formula C17H15F3N2O and a molecular weight of 320.31 g/mol. Its IUPAC name is [4-(3,4-difluorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(3,4-difluorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
PubChem CID86345157
Molecular FormulaC17H15F3N2O
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Name[4-(3,4-difluorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCN(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H15F3N2O/c18-13-3-1-2-12(10-13)17(23)22-8-6-21(7-9-22)14-4-5-15(19)16(20)11-14/h1-5,10-11H,6-9H2
InChIKeyJKOXLRWWOUZDMG-UHFFFAOYSA-N
XLogP3.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3,4-difluorophenyl)piperazin-1-yl]-phenylmethanone
CID 113081342
(3-fluorophenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078904
[4-(3-fluorobenzoyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110347138
[4-(3-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113079249
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 17465933
[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-pyrrolidin-1-ylmethanone
CID 109051662
ethyl 4-[4-(3-fluorobenzoyl)piperazin-1-yl]benzoate
CID 113079816
6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110361332
[4-(4-bromophenyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 113077272
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110365289

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-difluorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [4-(3,4-difluorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone (CID 86345157) is [4-(3,4-difluorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [4-(3,4-difluorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [4-(3,4-difluorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)N1CCN(c2ccc(F)c(F)c2)CC1.
What is the InChIKey of [4-(3,4-difluorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is JKOXLRWWOUZDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O/c18-13-3-1-2-12(10-13)17(23)22-8-6-21(7-9-22)14-4-5-15(19)16(20)11-14/h1-5,10-11H,6-9H2.
What are the key properties of [4-(3,4-difluorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
[4-(3,4-difluorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 320.31 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-difluorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 86345157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).