2-(dimethylamino)-1-piperazin-1-ylethanone;bis(2,2,2-trifluoroacetic acid)

C12H19F6N3O5 — CID 154943080

IUPAC2-(dimethylamino)-1-piperazin-1-ylethanone;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)CC(=O)N1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C8H17N3O.2C2HF3O2/c1-10(2)7-8(12)11-5-3-9-4-6-11;2*3-2(4,5)1(6)7/h9H,3-7H2,1-2H3;2*(H,6,7)
InChIKeyLGCCYVMUDTWFAM-UHFFFAOYSA-N
MW399.29 g/mol
LogP0.25
Rot. Bonds2

About 2-(dimethylamino)-1-piperazin-1-ylethanone;bis(2,2,2-trifluoroacetic acid)

2-(dimethylamino)-1-piperazin-1-ylethanone;bis(2,2,2-trifluoroacetic acid) (PubChem CID 154943080) has the molecular formula C12H19F6N3O5 and a molecular weight of 399.29 g/mol. Its IUPAC name is 2-(dimethylamino)-1-piperazin-1-ylethanone;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-(dimethylamino)-1-piperazin-1-ylethanone;bis(2,2,2-trifluoroacetic acid)
PubChem CID154943080
Molecular FormulaC12H19F6N3O5
Molecular Weight399.29 g/mol
Exact Mass399.12
IUPAC Name2-(dimethylamino)-1-piperazin-1-ylethanone;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)CC(=O)N1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C8H17N3O.2C2HF3O2/c1-10(2)7-8(12)11-5-3-9-4-6-11;2*3-2(4,5)1(6)7/h9H,3-7H2,1-2H3;2*(H,6,7)
InChIKeyLGCCYVMUDTWFAM-UHFFFAOYSA-N
XLogP0.25
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-piperazin-1-ylethanone;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-(dimethylamino)-1-piperazin-1-ylethanone;bis(2,2,2-trifluoroacetic acid) (CID 154943080) is 2-(dimethylamino)-1-piperazin-1-ylethanone;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-(dimethylamino)-1-piperazin-1-ylethanone;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-(dimethylamino)-1-piperazin-1-ylethanone;bis(2,2,2-trifluoroacetic acid) is CN(C)CC(=O)N1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(dimethylamino)-1-piperazin-1-ylethanone;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is LGCCYVMUDTWFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O.2C2HF3O2/c1-10(2)7-8(12)11-5-3-9-4-6-11;2*3-2(4,5)1(6)7/h9H,3-7H2,1-2H3;2*(H,6,7).
What are the key properties of 2-(dimethylamino)-1-piperazin-1-ylethanone;bis(2,2,2-trifluoroacetic acid)?
2-(dimethylamino)-1-piperazin-1-ylethanone;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 399.29 g/mol, XLogP of 0.25, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-piperazin-1-ylethanone;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 154943080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).