2-(dimethylamino)-3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one

C9H16F3N3O — CID 90923181

IUPAC2-(dimethylamino)-3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one
SMILESCN(C)C(C(=O)N1CCNCC1)C(F)(F)F
InChIInChI=1S/C9H16F3N3O/c1-14(2)7(9(10,11)12)8(16)15-5-3-13-4-6-15/h7,13H,3-6H2,1-2H3
InChIKeyRFZCBOQMXHILMS-UHFFFAOYSA-N
MW239.24 g/mol
LogP-0.09
Rot. Bonds2

About 2-(dimethylamino)-3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one

2-(dimethylamino)-3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one (PubChem CID 90923181) has the molecular formula C9H16F3N3O and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-(dimethylamino)-3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one
PubChem CID90923181
Molecular FormulaC9H16F3N3O
Molecular Weight239.24 g/mol
Exact Mass239.12
IUPAC Name2-(dimethylamino)-3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one
SMILESCN(C)C(C(=O)N1CCNCC1)C(F)(F)F
InChIInChI=1S/C9H16F3N3O/c1-14(2)7(9(10,11)12)8(16)15-5-3-13-4-6-15/h7,13H,3-6H2,1-2H3
InChIKeyRFZCBOQMXHILMS-UHFFFAOYSA-N
XLogP-0.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119400450
2-(dimethylamino)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 82508777
2-cyclopropyl-2-(dimethylamino)-1-piperazin-1-ylethanone
CID 82508389
(2S)-2,3,3-trimethyl-1-piperazin-1-ylbutan-1-one
CID 59979591
1-(1,4-diazepan-1-yl)-2-(dimethylamino)-3-methylbutan-1-one;dihydrochloride
CID 119415773
(2R)-2-amino-1-(1,4,7,10-tetrazacyclododec-1-yl)propan-1-one;2,2,2-trifluoroacetic acid
CID 23656139
2,2-difluoro-1-piperazin-1-ylpropan-1-one
CID 116840399
2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43263438
N-methyl-N-propan-2-ylpiperazine-1-carboxamide
CID 16791160
2,3-dimethyl-1-morpholin-4-yl-4-piperazin-1-ylbutane-1,4-dione
CID 173096762
4,4,4-trifluoro-1-piperazin-1-yl-3-(trifluoromethyl)butan-1-one
CID 84714810
2-(dimethylamino)-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 172785490

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-(dimethylamino)-3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one (CID 90923181) is 2-(dimethylamino)-3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-(dimethylamino)-3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-(dimethylamino)-3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one is CN(C)C(C(=O)N1CCNCC1)C(F)(F)F.
What is the InChIKey of 2-(dimethylamino)-3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one?
The InChIKey is RFZCBOQMXHILMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O/c1-14(2)7(9(10,11)12)8(16)15-5-3-13-4-6-15/h7,13H,3-6H2,1-2H3.
What are the key properties of 2-(dimethylamino)-3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one?
2-(dimethylamino)-3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one has a molecular weight of 239.24 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 90923181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).