1-[(E)-3-methylpent-2-enyl]piperazine

C10H20N2 — CID 22628662

IUPAC1-[(E)-3-methylpent-2-enyl]piperazine
SMILESCC/C(C)=C/CN1CCNCC1
InChIInChI=1S/C10H20N2/c1-3-10(2)4-7-12-8-5-11-6-9-12/h4,11H,3,5-9H2,1-2H3/b10-4+
InChIKeyXZRUJRNPLKLFPG-ONNFQVAWSA-N
MW168.28 g/mol
LogP1.25
Rot. Bonds3

About 1-[(E)-3-methylpent-2-enyl]piperazine

1-[(E)-3-methylpent-2-enyl]piperazine (PubChem CID 22628662) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-[(E)-3-methylpent-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(E)-3-methylpent-2-enyl]piperazine
PubChem CID22628662
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-[(E)-3-methylpent-2-enyl]piperazine
SMILESCC/C(C)=C/CN1CCNCC1
InChIInChI=1S/C10H20N2/c1-3-10(2)4-7-12-8-5-11-6-9-12/h4,11H,3,5-9H2,1-2H3/b10-4+
InChIKeyXZRUJRNPLKLFPG-ONNFQVAWSA-N
XLogP1.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.25
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-[(E)-3-methylpent-2-enyl]piperazine?
The IUPAC name of 1-[(E)-3-methylpent-2-enyl]piperazine (CID 22628662) is 1-[(E)-3-methylpent-2-enyl]piperazine.
What is the SMILES notation for 1-[(E)-3-methylpent-2-enyl]piperazine?
The canonical SMILES for 1-[(E)-3-methylpent-2-enyl]piperazine is CC/C(C)=C/CN1CCNCC1.
What is the InChIKey of 1-[(E)-3-methylpent-2-enyl]piperazine?
The InChIKey is XZRUJRNPLKLFPG-ONNFQVAWSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-10(2)4-7-12-8-5-11-6-9-12/h4,11H,3,5-9H2,1-2H3/b10-4+.
What are the key properties of 1-[(E)-3-methylpent-2-enyl]piperazine?
1-[(E)-3-methylpent-2-enyl]piperazine has a molecular weight of 168.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-methylpent-2-enyl]piperazine is sourced from PubChem (CID 22628662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).