3-(dimethylamino)-1-[(3R)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one

C10H18F3N3O — CID 176837634

IUPAC3-(dimethylamino)-1-[(3R)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one
SMILESCN(C)CCC(=O)N1CCN[C@@H](C(F)(F)F)C1
InChIInChI=1S/C10H18F3N3O/c1-15(2)5-3-9(17)16-6-4-14-8(7-16)10(11,12)13/h8,14H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyHCRYLXKJXPLLMG-MRVPVSSYSA-N
MW253.27 g/mol
LogP0.30
Rot. Bonds3

About 3-(dimethylamino)-1-[(3R)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one

3-(dimethylamino)-1-[(3R)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one (PubChem CID 176837634) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 3-(dimethylamino)-1-[(3R)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-[(3R)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one
PubChem CID176837634
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name3-(dimethylamino)-1-[(3R)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one
SMILESCN(C)CCC(=O)N1CCN[C@@H](C(F)(F)F)C1
InChIInChI=1S/C10H18F3N3O/c1-15(2)5-3-9(17)16-6-4-14-8(7-16)10(11,12)13/h8,14H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyHCRYLXKJXPLLMG-MRVPVSSYSA-N
XLogP0.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-[(3R)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(dimethylamino)-1-[(3R)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one (CID 176837634) is 3-(dimethylamino)-1-[(3R)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-[(3R)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-[(3R)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one is CN(C)CCC(=O)N1CCN[C@@H](C(F)(F)F)C1.
What is the InChIKey of 3-(dimethylamino)-1-[(3R)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one?
The InChIKey is HCRYLXKJXPLLMG-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-15(2)5-3-9(17)16-6-4-14-8(7-16)10(11,12)13/h8,14H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of 3-(dimethylamino)-1-[(3R)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one?
3-(dimethylamino)-1-[(3R)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one has a molecular weight of 253.27 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-[(3R)-3-(trifluoromethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 176837634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).