(5-amino-2,4-difluorophenyl)-piperazin-1-ylmethanone

C11H13F2N3O — CID 82511462

IUPAC(5-amino-2,4-difluorophenyl)-piperazin-1-ylmethanone
SMILESNc1cc(C(=O)N2CCNCC2)c(F)cc1F
InChIInChI=1S/C11H13F2N3O/c12-8-6-9(13)10(14)5-7(8)11(17)16-3-1-15-2-4-16/h5-6,15H,1-4,14H2
InChIKeyJCXCBRDPEOEIML-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.59
Rot. Bonds1

About (5-amino-2,4-difluorophenyl)-piperazin-1-ylmethanone

(5-amino-2,4-difluorophenyl)-piperazin-1-ylmethanone (PubChem CID 82511462) has the molecular formula C11H13F2N3O and a molecular weight of 241.24 g/mol. Its IUPAC name is (5-amino-2,4-difluorophenyl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(5-amino-2,4-difluorophenyl)-piperazin-1-ylmethanone
PubChem CID82511462
Molecular FormulaC11H13F2N3O
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name(5-amino-2,4-difluorophenyl)-piperazin-1-ylmethanone
SMILESNc1cc(C(=O)N2CCNCC2)c(F)cc1F
InChIInChI=1S/C11H13F2N3O/c12-8-6-9(13)10(14)5-7(8)11(17)16-3-1-15-2-4-16/h5-6,15H,1-4,14H2
InChIKeyJCXCBRDPEOEIML-UHFFFAOYSA-N
XLogP0.59
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone
CID 16769233
(2-fluoro-5-methylphenyl)-piperazin-1-ylmethanone
CID 62514775
(2-amino-5-fluorophenyl)-(1,4-diazepan-1-yl)methanone
CID 43535352
(5-amino-2,4-difluorophenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103530092
(5-amino-4-fluoro-2-methylphenyl)-(azepan-1-yl)methanone
CID 114271606
(3-fluoro-2-sulfanylphenyl)-piperazin-1-ylmethanone
CID 82511301
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(5-amino-2,4-difluorophenyl)methanone
CID 61109997
(2-amino-5-fluoro-3-nitrophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119402010
piperazin-1-yl-(2,3,4-trifluorophenyl)methanone;hydrochloride
CID 119401952
(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-piperazin-1-ylmethanone
CID 82550269
(5-amino-2,4-difluorophenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64568795
1,4-diazepan-1-yl-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone
CID 119415116

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,4-difluorophenyl)-piperazin-1-ylmethanone?
The IUPAC name of (5-amino-2,4-difluorophenyl)-piperazin-1-ylmethanone (CID 82511462) is (5-amino-2,4-difluorophenyl)-piperazin-1-ylmethanone.
What is the SMILES notation for (5-amino-2,4-difluorophenyl)-piperazin-1-ylmethanone?
The canonical SMILES for (5-amino-2,4-difluorophenyl)-piperazin-1-ylmethanone is Nc1cc(C(=O)N2CCNCC2)c(F)cc1F.
What is the InChIKey of (5-amino-2,4-difluorophenyl)-piperazin-1-ylmethanone?
The InChIKey is JCXCBRDPEOEIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O/c12-8-6-9(13)10(14)5-7(8)11(17)16-3-1-15-2-4-16/h5-6,15H,1-4,14H2.
What are the key properties of (5-amino-2,4-difluorophenyl)-piperazin-1-ylmethanone?
(5-amino-2,4-difluorophenyl)-piperazin-1-ylmethanone has a molecular weight of 241.24 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,4-difluorophenyl)-piperazin-1-ylmethanone is sourced from PubChem (CID 82511462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).