1-ethoxy-2-propylpiperazine

C9H20N2O — CID 174859898

IUPAC1-ethoxy-2-propylpiperazine
SMILESCCCC1CNCCN1OCC
InChIInChI=1S/C9H20N2O/c1-3-5-9-8-10-6-7-11(9)12-4-2/h9-10H,3-8H2,1-2H3
InChIKeyMNECJTJWLXHWOU-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.01
Rot. Bonds4

About 1-ethoxy-2-propylpiperazine

1-ethoxy-2-propylpiperazine (PubChem CID 174859898) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-ethoxy-2-propylpiperazine.

Molecular Properties

Compound Name1-ethoxy-2-propylpiperazine
PubChem CID174859898
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-ethoxy-2-propylpiperazine
SMILESCCCC1CNCCN1OCC
InChIInChI=1S/C9H20N2O/c1-3-5-9-8-10-6-7-11(9)12-4-2/h9-10H,3-8H2,1-2H3
InChIKeyMNECJTJWLXHWOU-UHFFFAOYSA-N
XLogP1.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-propylpiperazine?
The IUPAC name of 1-ethoxy-2-propylpiperazine (CID 174859898) is 1-ethoxy-2-propylpiperazine.
What is the SMILES notation for 1-ethoxy-2-propylpiperazine?
The canonical SMILES for 1-ethoxy-2-propylpiperazine is CCCC1CNCCN1OCC.
What is the InChIKey of 1-ethoxy-2-propylpiperazine?
The InChIKey is MNECJTJWLXHWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-5-9-8-10-6-7-11(9)12-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-ethoxy-2-propylpiperazine?
1-ethoxy-2-propylpiperazine has a molecular weight of 172.27 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-propylpiperazine is sourced from PubChem (CID 174859898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).