3,3,3-trifluoro-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride

C8H14ClF3N2O — CID 119471832

IUPAC3,3,3-trifluoro-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
SMILESCC1CNCCN1C(=O)CC(F)(F)F.Cl
InChIInChI=1S/C8H13F3N2O.ClH/c1-6-5-12-2-3-13(6)7(14)4-8(9,10)11;/h6,12H,2-5H2,1H3;1H
InChIKeyWNABIDCPXZFABN-UHFFFAOYSA-N
MW246.66 g/mol
LogP1.18
Rot. Bonds1

About 3,3,3-trifluoro-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride

3,3,3-trifluoro-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride (PubChem CID 119471832) has the molecular formula C8H14ClF3N2O and a molecular weight of 246.66 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
PubChem CID119471832
Molecular FormulaC8H14ClF3N2O
Molecular Weight246.66 g/mol
Exact Mass246.07
IUPAC Name3,3,3-trifluoro-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
SMILESCC1CNCCN1C(=O)CC(F)(F)F.Cl
InChIInChI=1S/C8H13F3N2O.ClH/c1-6-5-12-2-3-13(6)7(14)4-8(9,10)11;/h6,12H,2-5H2,1H3;1H
InChIKeyWNABIDCPXZFABN-UHFFFAOYSA-N
XLogP1.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-3-methyl-1-[(2S)-2-methylpiperazin-1-yl]butan-1-one
CID 103021646
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
2-ethylsulfonyl-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119472127
5,5-dimethyl-1-(2-methylpiperazin-1-yl)hexan-1-one
CID 115273038
2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethanone
CID 79001882
4-cyclobutyl-1-(2-methylpiperazin-1-yl)butan-1-one
CID 115273063
1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride
CID 120741414
1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 55300442
1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440
3,4-dimethyl-1-(2-methylpiperazin-1-yl)pentan-1-one
CID 119473625
3-(dimethylamino)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 82755732
3-amino-1-(2-methylpiperazin-1-yl)butan-1-one
CID 128919979

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 3,3,3-trifluoro-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride (CID 119471832) is 3,3,3-trifluoro-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 3,3,3-trifluoro-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 3,3,3-trifluoro-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride is CC1CNCCN1C(=O)CC(F)(F)F.Cl.
What is the InChIKey of 3,3,3-trifluoro-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride?
The InChIKey is WNABIDCPXZFABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O.ClH/c1-6-5-12-2-3-13(6)7(14)4-8(9,10)11;/h6,12H,2-5H2,1H3;1H.
What are the key properties of 3,3,3-trifluoro-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride?
3,3,3-trifluoro-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride has a molecular weight of 246.66 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 119471832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).