ethyl piperazine-2-carboxylate;2,2,2-trifluoroacetic acid

C9H15F3N2O4 — CID 67625375

IUPACethyl piperazine-2-carboxylate;2,2,2-trifluoroacetic acid
SMILESCCOC(=O)C1CNCCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O2.C2HF3O2/c1-2-11-7(10)6-5-8-3-4-9-6;3-2(4,5)1(6)7/h6,8-9H,2-5H2,1H3;(H,6,7)
InChIKeyCTZCRKTUOVKVKV-UHFFFAOYSA-N
MW272.22 g/mol
LogP-0.26
Rot. Bonds2

About ethyl piperazine-2-carboxylate;2,2,2-trifluoroacetic acid

ethyl piperazine-2-carboxylate;2,2,2-trifluoroacetic acid (PubChem CID 67625375) has the molecular formula C9H15F3N2O4 and a molecular weight of 272.22 g/mol. Its IUPAC name is ethyl piperazine-2-carboxylate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameethyl piperazine-2-carboxylate;2,2,2-trifluoroacetic acid
PubChem CID67625375
Molecular FormulaC9H15F3N2O4
Molecular Weight272.22 g/mol
Exact Mass272.10
IUPAC Nameethyl piperazine-2-carboxylate;2,2,2-trifluoroacetic acid
SMILESCCOC(=O)C1CNCCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O2.C2HF3O2/c1-2-11-7(10)6-5-8-3-4-9-6;3-2(4,5)1(6)7/h6,8-9H,2-5H2,1H3;(H,6,7)
InChIKeyCTZCRKTUOVKVKV-UHFFFAOYSA-N
XLogP-0.26
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl piperazine-2-carboxylate;2,2,2-trifluoroacetic acid?
The IUPAC name of ethyl piperazine-2-carboxylate;2,2,2-trifluoroacetic acid (CID 67625375) is ethyl piperazine-2-carboxylate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for ethyl piperazine-2-carboxylate;2,2,2-trifluoroacetic acid?
The canonical SMILES for ethyl piperazine-2-carboxylate;2,2,2-trifluoroacetic acid is CCOC(=O)C1CNCCN1.O=C(O)C(F)(F)F.
What is the InChIKey of ethyl piperazine-2-carboxylate;2,2,2-trifluoroacetic acid?
The InChIKey is CTZCRKTUOVKVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.C2HF3O2/c1-2-11-7(10)6-5-8-3-4-9-6;3-2(4,5)1(6)7/h6,8-9H,2-5H2,1H3;(H,6,7).
What are the key properties of ethyl piperazine-2-carboxylate;2,2,2-trifluoroacetic acid?
ethyl piperazine-2-carboxylate;2,2,2-trifluoroacetic acid has a molecular weight of 272.22 g/mol, XLogP of -0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl piperazine-2-carboxylate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67625375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).