[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone

C15H21F2N3O — CID 43251946

IUPAC[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
SMILESCC(CN)CN1CCN(C(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C15H21F2N3O/c1-11(9-18)10-19-5-7-20(8-6-19)15(21)14-12(16)3-2-4-13(14)17/h2-4,11H,5-10,18H2,1H3
InChIKeyXXSJWXVAZGQZCD-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.32
Rot. Bonds4

About [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone

[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone (PubChem CID 43251946) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
PubChem CID43251946
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
SMILESCC(CN)CN1CCN(C(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C15H21F2N3O/c1-11(9-18)10-19-5-7-20(8-6-19)15(21)14-12(16)3-2-4-13(14)17/h2-4,11H,5-10,18H2,1H3
InChIKeyXXSJWXVAZGQZCD-UHFFFAOYSA-N
XLogP1.32
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 63337395
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 107674352
4-amino-1-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-3-methoxybutan-1-one
CID 120590670
1-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 119756685
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 43251972
[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(4-hydroxyphenyl)methanone
CID 43252011
(2-bromo-6-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 113250757
phenyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate
CID 43252432
4-amino-1-(2,6-difluorophenyl)-3-methylbutan-1-one
CID 116596554
(2,6-difluorophenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone
CID 7285657
[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(2-methylfuran-3-yl)methanone
CID 43252022
(2,6-difluorophenyl)-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methanone
CID 111439654

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone?
The IUPAC name of [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone (CID 43251946) is [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone.
What is the SMILES notation for [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone?
The canonical SMILES for [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone is CC(CN)CN1CCN(C(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone?
The InChIKey is XXSJWXVAZGQZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O/c1-11(9-18)10-19-5-7-20(8-6-19)15(21)14-12(16)3-2-4-13(14)17/h2-4,11H,5-10,18H2,1H3.
What are the key properties of [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone?
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone has a molecular weight of 297.35 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 43251946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).