1-ethylpiperazine-2-carboxylate

C7H13N2O2- — CID 52911180

IUPAC1-ethylpiperazine-2-carboxylate
SMILESCCN1CCNCC1C(=O)[O-]
InChIInChI=1S/C7H14N2O2/c1-2-9-4-3-8-5-6(9)7(10)11/h6,8H,2-5H2,1H3,(H,10,11)/p-1
InChIKeyKBGVGPASFNVZTE-UHFFFAOYSA-M
MW157.19 g/mol
LogP-1.97
Rot. Bonds2

About 1-ethylpiperazine-2-carboxylate

1-ethylpiperazine-2-carboxylate (PubChem CID 52911180) has the molecular formula C7H13N2O2- and a molecular weight of 157.19 g/mol. Its IUPAC name is 1-ethylpiperazine-2-carboxylate.

Molecular Properties

Compound Name1-ethylpiperazine-2-carboxylate
PubChem CID52911180
Molecular FormulaC7H13N2O2-
Molecular Weight157.19 g/mol
Exact Mass157.10
IUPAC Name1-ethylpiperazine-2-carboxylate
SMILESCCN1CCNCC1C(=O)[O-]
InChIInChI=1S/C7H14N2O2/c1-2-9-4-3-8-5-6(9)7(10)11/h6,8H,2-5H2,1H3,(H,10,11)/p-1
InChIKeyKBGVGPASFNVZTE-UHFFFAOYSA-M
XLogP-1.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 5-1.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethylpiperazine-2-carboxylate?
The IUPAC name of 1-ethylpiperazine-2-carboxylate (CID 52911180) is 1-ethylpiperazine-2-carboxylate.
What is the SMILES notation for 1-ethylpiperazine-2-carboxylate?
The canonical SMILES for 1-ethylpiperazine-2-carboxylate is CCN1CCNCC1C(=O)[O-].
What is the InChIKey of 1-ethylpiperazine-2-carboxylate?
The InChIKey is KBGVGPASFNVZTE-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H14N2O2/c1-2-9-4-3-8-5-6(9)7(10)11/h6,8H,2-5H2,1H3,(H,10,11)/p-1.
What are the key properties of 1-ethylpiperazine-2-carboxylate?
1-ethylpiperazine-2-carboxylate has a molecular weight of 157.19 g/mol, XLogP of -1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpiperazine-2-carboxylate is sourced from PubChem (CID 52911180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).