(3-amino-2,5-difluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

C15H21F2N3O — CID 107120733

IUPAC(3-amino-2,5-difluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2cc(F)cc(N)c2F)CC1
InChIInChI=1S/C15H21F2N3O/c1-10(2)9-19-3-5-20(6-4-19)15(21)12-7-11(16)8-13(18)14(12)17/h7-8,10H,3-6,9,18H2,1-2H3
InChIKeyFNFLOQNMAQIBHE-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.96
Rot. Bonds3

About (3-amino-2,5-difluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

(3-amino-2,5-difluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 107120733) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is (3-amino-2,5-difluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-2,5-difluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID107120733
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name(3-amino-2,5-difluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2cc(F)cc(N)c2F)CC1
InChIInChI=1S/C15H21F2N3O/c1-10(2)9-19-3-5-20(6-4-19)15(21)12-7-11(16)8-13(18)14(12)17/h7-8,10H,3-6,9,18H2,1-2H3
InChIKeyFNFLOQNMAQIBHE-UHFFFAOYSA-N
XLogP1.96
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-fluoro-2-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 79882938
(3-amino-2,5-difluorophenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107210119
(2-amino-5-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 107074618
(2-bromo-4-fluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 60698441
(3-amino-2,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone
CID 107120978
(2-amino-5-bromo-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62776114
(3-amino-2,5-difluorophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 107121163
(3-amino-2,5-difluorophenyl)-(2,2-dimethylthiomorpholin-4-yl)methanone
CID 107121474
(3-amino-2,5-difluorophenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 107121558
(3-amino-2,5-difluorophenyl)-(4-propylazepan-1-yl)methanone
CID 107121117
(2,5-dimethylfuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 78802306
(2-chloro-5-methylsulfanylphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 112765531

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,5-difluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of (3-amino-2,5-difluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (CID 107120733) is (3-amino-2,5-difluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-amino-2,5-difluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-amino-2,5-difluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is CC(C)CN1CCN(C(=O)c2cc(F)cc(N)c2F)CC1.
What is the InChIKey of (3-amino-2,5-difluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is FNFLOQNMAQIBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O/c1-10(2)9-19-3-5-20(6-4-19)15(21)12-7-11(16)8-13(18)14(12)17/h7-8,10H,3-6,9,18H2,1-2H3.
What are the key properties of (3-amino-2,5-difluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
(3-amino-2,5-difluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 297.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,5-difluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 107120733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).