1-(3-pentoxyprop-2-enyl)piperazine

C12H24N2O — CID 70413529

IUPAC1-(3-pentoxyprop-2-enyl)piperazine
SMILESCCCCCOC=CCN1CCNCC1
InChIInChI=1S/C12H24N2O/c1-2-3-4-11-15-12-5-8-14-9-6-13-7-10-14/h5,12-13H,2-4,6-11H2,1H3
InChIKeyWVYAMRXOEXJKJB-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.61
Rot. Bonds7

About 1-(3-pentoxyprop-2-enyl)piperazine

1-(3-pentoxyprop-2-enyl)piperazine (PubChem CID 70413529) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(3-pentoxyprop-2-enyl)piperazine.

Molecular Properties

Compound Name1-(3-pentoxyprop-2-enyl)piperazine
PubChem CID70413529
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(3-pentoxyprop-2-enyl)piperazine
SMILESCCCCCOC=CCN1CCNCC1
InChIInChI=1S/C12H24N2O/c1-2-3-4-11-15-12-5-8-14-9-6-13-7-10-14/h5,12-13H,2-4,6-11H2,1H3
InChIKeyWVYAMRXOEXJKJB-UHFFFAOYSA-N
XLogP1.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-pentoxyprop-2-enyl)piperazine?
The IUPAC name of 1-(3-pentoxyprop-2-enyl)piperazine (CID 70413529) is 1-(3-pentoxyprop-2-enyl)piperazine.
What is the SMILES notation for 1-(3-pentoxyprop-2-enyl)piperazine?
The canonical SMILES for 1-(3-pentoxyprop-2-enyl)piperazine is CCCCCOC=CCN1CCNCC1.
What is the InChIKey of 1-(3-pentoxyprop-2-enyl)piperazine?
The InChIKey is WVYAMRXOEXJKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-2-3-4-11-15-12-5-8-14-9-6-13-7-10-14/h5,12-13H,2-4,6-11H2,1H3.
What are the key properties of 1-(3-pentoxyprop-2-enyl)piperazine?
1-(3-pentoxyprop-2-enyl)piperazine has a molecular weight of 212.34 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pentoxyprop-2-enyl)piperazine is sourced from PubChem (CID 70413529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).