(2R)-1-ethyl-2-methylpiperazine;2,2,2-trifluoroacetic acid

C9H17F3N2O2 — CID 146455396

IUPAC(2R)-1-ethyl-2-methylpiperazine;2,2,2-trifluoroacetic acid
SMILESCCN1CCNC[C@H]1C.O=C(O)C(F)(F)F
InChIInChI=1S/C7H16N2.C2HF3O2/c1-3-9-5-4-8-6-7(9)2;3-2(4,5)1(6)7/h7-8H,3-6H2,1-2H3;(H,6,7)/t7-;/m1./s1
InChIKeyIGBBTYJVMNPUCN-OGFXRTJISA-N
MW242.24 g/mol
LogP0.93
Rot. Bonds1

About (2R)-1-ethyl-2-methylpiperazine;2,2,2-trifluoroacetic acid

(2R)-1-ethyl-2-methylpiperazine;2,2,2-trifluoroacetic acid (PubChem CID 146455396) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is (2R)-1-ethyl-2-methylpiperazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2R)-1-ethyl-2-methylpiperazine;2,2,2-trifluoroacetic acid
PubChem CID146455396
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name(2R)-1-ethyl-2-methylpiperazine;2,2,2-trifluoroacetic acid
SMILESCCN1CCNC[C@H]1C.O=C(O)C(F)(F)F
InChIInChI=1S/C7H16N2.C2HF3O2/c1-3-9-5-4-8-6-7(9)2;3-2(4,5)1(6)7/h7-8H,3-6H2,1-2H3;(H,6,7)/t7-;/m1./s1
InChIKeyIGBBTYJVMNPUCN-OGFXRTJISA-N
XLogP0.93
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-ethyl-2-methylpiperazine;2,2,2-trifluoroacetic acid?
The IUPAC name of (2R)-1-ethyl-2-methylpiperazine;2,2,2-trifluoroacetic acid (CID 146455396) is (2R)-1-ethyl-2-methylpiperazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2R)-1-ethyl-2-methylpiperazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2R)-1-ethyl-2-methylpiperazine;2,2,2-trifluoroacetic acid is CCN1CCNC[C@H]1C.O=C(O)C(F)(F)F.
What is the InChIKey of (2R)-1-ethyl-2-methylpiperazine;2,2,2-trifluoroacetic acid?
The InChIKey is IGBBTYJVMNPUCN-OGFXRTJISA-N. The full InChI is InChI=1S/C7H16N2.C2HF3O2/c1-3-9-5-4-8-6-7(9)2;3-2(4,5)1(6)7/h7-8H,3-6H2,1-2H3;(H,6,7)/t7-;/m1./s1.
What are the key properties of (2R)-1-ethyl-2-methylpiperazine;2,2,2-trifluoroacetic acid?
(2R)-1-ethyl-2-methylpiperazine;2,2,2-trifluoroacetic acid has a molecular weight of 242.24 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-ethyl-2-methylpiperazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146455396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).