1-[(E,2E)-2-ethylidene-4-methoxypent-3-enyl]piperazine

C12H22N2O — CID 129231954

IUPAC1-[(E,2E)-2-ethylidene-4-methoxypent-3-enyl]piperazine
SMILESC/C=C(\C=C(/C)OC)CN1CCNCC1
InChIInChI=1S/C12H22N2O/c1-4-12(9-11(2)15-3)10-14-7-5-13-6-8-14/h4,9,13H,5-8,10H2,1-3H3/b11-9+,12-4+
InChIKeyUNBRNAQZHAPUDD-NQGRXLCKSA-N
MW210.32 g/mol
LogP1.39
Rot. Bonds4

About 1-[(E,2E)-2-ethylidene-4-methoxypent-3-enyl]piperazine

1-[(E,2E)-2-ethylidene-4-methoxypent-3-enyl]piperazine (PubChem CID 129231954) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-[(E,2E)-2-ethylidene-4-methoxypent-3-enyl]piperazine.

Molecular Properties

Compound Name1-[(E,2E)-2-ethylidene-4-methoxypent-3-enyl]piperazine
PubChem CID129231954
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-[(E,2E)-2-ethylidene-4-methoxypent-3-enyl]piperazine
SMILESC/C=C(\C=C(/C)OC)CN1CCNCC1
InChIInChI=1S/C12H22N2O/c1-4-12(9-11(2)15-3)10-14-7-5-13-6-8-14/h4,9,13H,5-8,10H2,1-3H3/b11-9+,12-4+
InChIKeyUNBRNAQZHAPUDD-NQGRXLCKSA-N
XLogP1.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E,2E)-2-ethylidene-4-methoxypent-3-enyl]piperazine?
The IUPAC name of 1-[(E,2E)-2-ethylidene-4-methoxypent-3-enyl]piperazine (CID 129231954) is 1-[(E,2E)-2-ethylidene-4-methoxypent-3-enyl]piperazine.
What is the SMILES notation for 1-[(E,2E)-2-ethylidene-4-methoxypent-3-enyl]piperazine?
The canonical SMILES for 1-[(E,2E)-2-ethylidene-4-methoxypent-3-enyl]piperazine is C/C=C(\C=C(/C)OC)CN1CCNCC1.
What is the InChIKey of 1-[(E,2E)-2-ethylidene-4-methoxypent-3-enyl]piperazine?
The InChIKey is UNBRNAQZHAPUDD-NQGRXLCKSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-12(9-11(2)15-3)10-14-7-5-13-6-8-14/h4,9,13H,5-8,10H2,1-3H3/b11-9+,12-4+.
What are the key properties of 1-[(E,2E)-2-ethylidene-4-methoxypent-3-enyl]piperazine?
1-[(E,2E)-2-ethylidene-4-methoxypent-3-enyl]piperazine has a molecular weight of 210.32 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E,2E)-2-ethylidene-4-methoxypent-3-enyl]piperazine is sourced from PubChem (CID 129231954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).