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

C9H16F3N3O — CID 90750706

IUPAC(2R)-2-(dimethylamino)-3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one
SMILESCN(C)[C@H](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/t7-/m1/s1
InChIKeyRFZCBOQMXHILMS-SSDOTTSWSA-N
MW239.24 g/mol
LogP-0.09
Rot. Bonds2

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

(2R)-2-(dimethylamino)-3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one (PubChem CID 90750706) has the molecular formula C9H16F3N3O and a molecular weight of 239.24 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one
PubChem CID90750706
Molecular FormulaC9H16F3N3O
Molecular Weight239.24 g/mol
Exact Mass239.12
IUPAC Name(2R)-2-(dimethylamino)-3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one
SMILESCN(C)[C@H](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/t7-/m1/s1
InChIKeyRFZCBOQMXHILMS-SSDOTTSWSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one?
The IUPAC name of (2R)-2-(dimethylamino)-3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one (CID 90750706) is (2R)-2-(dimethylamino)-3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-2-(dimethylamino)-3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for (2R)-2-(dimethylamino)-3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one is CN(C)[C@H](C(=O)N1CCNCC1)C(F)(F)F.
What is the InChIKey of (2R)-2-(dimethylamino)-3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one?
The InChIKey is RFZCBOQMXHILMS-SSDOTTSWSA-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/t7-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one?
(2R)-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 (2R)-2-(dimethylamino)-3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 90750706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).