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

C17H15BrF2N2O — CID 113077272

IUPAC[4-(4-bromophenyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H15BrF2N2O/c18-13-2-4-14(5-3-13)21-7-9-22(10-8-21)17(23)12-1-6-15(19)16(20)11-12/h1-6,11H,7-10H2
InChIKeyHQXDGCNHWDRGLE-UHFFFAOYSA-N
MW381.22 g/mol
LogP3.69
Rot. Bonds2

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

[4-(4-bromophenyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone (PubChem CID 113077272) has the molecular formula C17H15BrF2N2O and a molecular weight of 381.22 g/mol. Its IUPAC name is [4-(4-bromophenyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-(4-bromophenyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
PubChem CID113077272
Molecular FormulaC17H15BrF2N2O
Molecular Weight381.22 g/mol
Exact Mass380.03
IUPAC Name[4-(4-bromophenyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H15BrF2N2O/c18-13-2-4-14(5-3-13)21-7-9-22(10-8-21)17(23)12-1-6-15(19)16(20)11-12/h1-6,11H,7-10H2
InChIKeyHQXDGCNHWDRGLE-UHFFFAOYSA-N
XLogP3.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3-bromo-5-fluorobenzoyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 46472827
[4-(4-bromophenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 113077273
(3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 17465933
(3,4-difluorophenyl)-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
CID 113081265
[4-(3,4-difluorophenyl)piperazin-1-yl]-phenylmethanone
CID 113081342
[4-(3,4-difluorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 86345157
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
4-bromo-N-[3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 46413426
(4-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069932
(3,4-difluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334310
1-[4-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]phenyl]ethanone
CID 32754911
(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 669359

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromophenyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone?
The IUPAC name of [4-(4-bromophenyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone (CID 113077272) is [4-(4-bromophenyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone.
What is the SMILES notation for [4-(4-bromophenyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone?
The canonical SMILES for [4-(4-bromophenyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone is O=C(c1ccc(F)c(F)c1)N1CCN(c2ccc(Br)cc2)CC1.
What is the InChIKey of [4-(4-bromophenyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone?
The InChIKey is HQXDGCNHWDRGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF2N2O/c18-13-2-4-14(5-3-13)21-7-9-22(10-8-21)17(23)12-1-6-15(19)16(20)11-12/h1-6,11H,7-10H2.
What are the key properties of [4-(4-bromophenyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone?
[4-(4-bromophenyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone has a molecular weight of 381.22 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromophenyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone is sourced from PubChem (CID 113077272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).