1-(2,2-dimethylpiperazin-1-yl)-2-fluoro-2-methylpropan-1-one

C10H19FN2O — CID 130562045

IUPAC1-(2,2-dimethylpiperazin-1-yl)-2-fluoro-2-methylpropan-1-one
SMILESCC(C)(F)C(=O)N1CCNCC1(C)C
InChIInChI=1S/C10H19FN2O/c1-9(2)7-12-5-6-13(9)8(14)10(3,4)11/h12H,5-7H2,1-4H3
InChIKeyDXULTLQKMIILCT-UHFFFAOYSA-N
MW202.27 g/mol
LogP0.94
Rot. Bonds1

About 1-(2,2-dimethylpiperazin-1-yl)-2-fluoro-2-methylpropan-1-one

1-(2,2-dimethylpiperazin-1-yl)-2-fluoro-2-methylpropan-1-one (PubChem CID 130562045) has the molecular formula C10H19FN2O and a molecular weight of 202.27 g/mol. Its IUPAC name is 1-(2,2-dimethylpiperazin-1-yl)-2-fluoro-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2,2-dimethylpiperazin-1-yl)-2-fluoro-2-methylpropan-1-one
PubChem CID130562045
Molecular FormulaC10H19FN2O
Molecular Weight202.27 g/mol
Exact Mass202.15
IUPAC Name1-(2,2-dimethylpiperazin-1-yl)-2-fluoro-2-methylpropan-1-one
SMILESCC(C)(F)C(=O)N1CCNCC1(C)C
InChIInChI=1S/C10H19FN2O/c1-9(2)7-12-5-6-13(9)8(14)10(3,4)11/h12H,5-7H2,1-4H3
InChIKeyDXULTLQKMIILCT-UHFFFAOYSA-N
XLogP0.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2,2-dimethylpiperazine-1-carboxylate;hydrochloride
CID 71607196
3-methylpentan-3-yl 2,2-dimethylpiperazine-1-carboxylate
CID 141044506
azepan-1-yl-(2,2-dimethylpiperazin-1-yl)methanone
CID 79152217
2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone
CID 79001733
(2S)-2-tert-butyl-2-methylpiperazine-1-carboxylic acid
CID 23568516
(2,2-dimethylpiperazin-1-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 65460537
2,2-dimethyl-N-propylpiperazine-1-carboxamide
CID 65460942
(2,2-dimethylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone
CID 79163291
(2,2-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone
CID 65462539
2-cyclohexyl-1-(2,2-dimethylpiperazin-1-yl)ethanone
CID 65463150
(2,2-dimethylpiperazin-1-yl) 2,2-dimethylpropanoate
CID 174609273
(4-chloro-1H-pyrrol-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone
CID 65462115

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpiperazin-1-yl)-2-fluoro-2-methylpropan-1-one?
The IUPAC name of 1-(2,2-dimethylpiperazin-1-yl)-2-fluoro-2-methylpropan-1-one (CID 130562045) is 1-(2,2-dimethylpiperazin-1-yl)-2-fluoro-2-methylpropan-1-one.
What is the SMILES notation for 1-(2,2-dimethylpiperazin-1-yl)-2-fluoro-2-methylpropan-1-one?
The canonical SMILES for 1-(2,2-dimethylpiperazin-1-yl)-2-fluoro-2-methylpropan-1-one is CC(C)(F)C(=O)N1CCNCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylpiperazin-1-yl)-2-fluoro-2-methylpropan-1-one?
The InChIKey is DXULTLQKMIILCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O/c1-9(2)7-12-5-6-13(9)8(14)10(3,4)11/h12H,5-7H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpiperazin-1-yl)-2-fluoro-2-methylpropan-1-one?
1-(2,2-dimethylpiperazin-1-yl)-2-fluoro-2-methylpropan-1-one has a molecular weight of 202.27 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpiperazin-1-yl)-2-fluoro-2-methylpropan-1-one is sourced from PubChem (CID 130562045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).