1-prop-2-enylpiperazine

C7H14N2 — CID 806422

IUPAC1-prop-2-enylpiperazine
SMILESC=CCN1CCNCC1
InChIInChI=1S/C7H14N2/c1-2-5-9-6-3-8-4-7-9/h2,8H,1,3-7H2
InChIKeyZWAQJGHGPPDZSF-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.08
Rot. Bonds2

About 1-prop-2-enylpiperazine

1-prop-2-enylpiperazine (PubChem CID 806422) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-prop-2-enylpiperazine.

Molecular Properties

Compound Name1-prop-2-enylpiperazine
PubChem CID806422
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name1-prop-2-enylpiperazine
SMILESC=CCN1CCNCC1
InChIInChI=1S/C7H14N2/c1-2-5-9-6-3-8-4-7-9/h2,8H,1,3-7H2
InChIKeyZWAQJGHGPPDZSF-UHFFFAOYSA-N
XLogP0.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylpiperazine?
The IUPAC name of 1-prop-2-enylpiperazine (CID 806422) is 1-prop-2-enylpiperazine.
What is the SMILES notation for 1-prop-2-enylpiperazine?
The canonical SMILES for 1-prop-2-enylpiperazine is C=CCN1CCNCC1.
What is the InChIKey of 1-prop-2-enylpiperazine?
The InChIKey is ZWAQJGHGPPDZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-2-5-9-6-3-8-4-7-9/h2,8H,1,3-7H2.
What are the key properties of 1-prop-2-enylpiperazine?
1-prop-2-enylpiperazine has a molecular weight of 126.20 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylpiperazine is sourced from PubChem (CID 806422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).