2-fluoro-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one

C9H17FN2O — CID 130165267

IUPAC2-fluoro-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)C(C)(C)F)CC1
InChIInChI=1S/C9H17FN2O/c1-9(2,10)8(13)12-6-4-11(3)5-7-12/h4-7H2,1-3H3
InChIKeyVHNYHYJWRRXJMJ-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.51
Rot. Bonds1

About 2-fluoro-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one

2-fluoro-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 130165267) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 2-fluoro-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-fluoro-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID130165267
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name2-fluoro-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)C(C)(C)F)CC1
InChIInChI=1S/C9H17FN2O/c1-9(2,10)8(13)12-6-4-11(3)5-7-12/h4-7H2,1-3H3
InChIKeyVHNYHYJWRRXJMJ-UHFFFAOYSA-N
XLogP0.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3360236
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 158455362
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-(4-methylpiperazin-1-yl)heptan-1-one
CID 5210023
2-fluoro-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 126972962
1-(4-methylpiperazin-1-yl)ethanone
CID 550758
2-fluoro-2-methyl-1-(1,3-oxazolidin-3-yl)propan-1-one
CID 166896616
2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-phenylpropanamide
CID 108960744
(2S)-2-fluoro-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
CID 71449758
ethane;2-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 177053865
4-methylpiperazine-1-carboxylic acid;hydrochloride
CID 70630580
2-bromo-2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
CID 114327524
2-fluoro-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 126972948

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-fluoro-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one (CID 130165267) is 2-fluoro-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-fluoro-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-fluoro-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one is CN1CCN(C(=O)C(C)(C)F)CC1.
What is the InChIKey of 2-fluoro-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is VHNYHYJWRRXJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-9(2,10)8(13)12-6-4-11(3)5-7-12/h4-7H2,1-3H3.
What are the key properties of 2-fluoro-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one?
2-fluoro-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 188.25 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 130165267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).