1-(2-prop-2-enoxyethyl)piperazine

C9H18N2O — CID 82353022

IUPAC1-(2-prop-2-enoxyethyl)piperazine
SMILESC=CCOCCN1CCNCC1
InChIInChI=1S/C9H18N2O/c1-2-8-12-9-7-11-5-3-10-4-6-11/h2,10H,1,3-9H2
InChIKeySIVMJKFUMPDZIW-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.09
Rot. Bonds5

About 1-(2-prop-2-enoxyethyl)piperazine

1-(2-prop-2-enoxyethyl)piperazine (PubChem CID 82353022) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(2-prop-2-enoxyethyl)piperazine.

Molecular Properties

Compound Name1-(2-prop-2-enoxyethyl)piperazine
PubChem CID82353022
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(2-prop-2-enoxyethyl)piperazine
SMILESC=CCOCCN1CCNCC1
InChIInChI=1S/C9H18N2O/c1-2-8-12-9-7-11-5-3-10-4-6-11/h2,10H,1,3-9H2
InChIKeySIVMJKFUMPDZIW-UHFFFAOYSA-N
XLogP0.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-enoxyethyl)piperazine?
The IUPAC name of 1-(2-prop-2-enoxyethyl)piperazine (CID 82353022) is 1-(2-prop-2-enoxyethyl)piperazine.
What is the SMILES notation for 1-(2-prop-2-enoxyethyl)piperazine?
The canonical SMILES for 1-(2-prop-2-enoxyethyl)piperazine is C=CCOCCN1CCNCC1.
What is the InChIKey of 1-(2-prop-2-enoxyethyl)piperazine?
The InChIKey is SIVMJKFUMPDZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-8-12-9-7-11-5-3-10-4-6-11/h2,10H,1,3-9H2.
What are the key properties of 1-(2-prop-2-enoxyethyl)piperazine?
1-(2-prop-2-enoxyethyl)piperazine has a molecular weight of 170.26 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-enoxyethyl)piperazine is sourced from PubChem (CID 82353022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).