4-amino-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]butan-1-one

C11H19F4N3O — CID 119887986

IUPAC4-amino-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]butan-1-one
SMILESNCCCC(=O)N1CCN(CC(F)(F)C(F)F)CC1
InChIInChI=1S/C11H19F4N3O/c12-10(13)11(14,15)8-17-4-6-18(7-5-17)9(19)2-1-3-16/h10H,1-8,16H2
InChIKeyVFACOZIFVGRHLG-UHFFFAOYSA-N
MW285.28 g/mol
LogP0.77
Rot. Bonds6

About 4-amino-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]butan-1-one

4-amino-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]butan-1-one (PubChem CID 119887986) has the molecular formula C11H19F4N3O and a molecular weight of 285.28 g/mol. Its IUPAC name is 4-amino-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]butan-1-one
PubChem CID119887986
Molecular FormulaC11H19F4N3O
Molecular Weight285.28 g/mol
Exact Mass285.15
IUPAC Name4-amino-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]butan-1-one
SMILESNCCCC(=O)N1CCN(CC(F)(F)C(F)F)CC1
InChIInChI=1S/C11H19F4N3O/c12-10(13)11(14,15)8-17-4-6-18(7-5-17)9(19)2-1-3-16/h10H,1-8,16H2
InChIKeyVFACOZIFVGRHLG-UHFFFAOYSA-N
XLogP0.77
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3,3-dimethyl-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]butan-1-one
CID 119887954
2-amino-2-methyl-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119887927
4-(4-aminobutanoyl)piperazine-1-carboxylic acid
CID 122623364
3-amino-1-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]propan-1-one;dihydrochloride
CID 119844331
2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetic acid
CID 119135540
4-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]butan-1-one
CID 60946858
5-oxo-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanoic acid
CID 43580112
4-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]butan-1-one
CID 54872719
1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 71782652
4-amino-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]butan-1-one
CID 119833281
4-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]butan-1-one
CID 119843365
3-amino-1-(aziridin-1-yl)propan-1-one
CID 87106938

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 4-amino-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]butan-1-one (CID 119887986) is 4-amino-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-amino-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-amino-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]butan-1-one is NCCCC(=O)N1CCN(CC(F)(F)C(F)F)CC1.
What is the InChIKey of 4-amino-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]butan-1-one?
The InChIKey is VFACOZIFVGRHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F4N3O/c12-10(13)11(14,15)8-17-4-6-18(7-5-17)9(19)2-1-3-16/h10H,1-8,16H2.
What are the key properties of 4-amino-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]butan-1-one?
4-amino-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]butan-1-one has a molecular weight of 285.28 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 119887986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).