1-hex-3-enylpiperazine

C10H20N2 — CID 57014890

IUPAC1-hex-3-enylpiperazine
SMILESCCC=CCCN1CCNCC1
InChIInChI=1S/C10H20N2/c1-2-3-4-5-8-12-9-6-11-7-10-12/h3-4,11H,2,5-10H2,1H3
InChIKeyWUIFXNHFUFQLHJ-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.25
Rot. Bonds4

About 1-hex-3-enylpiperazine

1-hex-3-enylpiperazine (PubChem CID 57014890) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-hex-3-enylpiperazine.

Molecular Properties

Compound Name1-hex-3-enylpiperazine
PubChem CID57014890
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-hex-3-enylpiperazine
SMILESCCC=CCCN1CCNCC1
InChIInChI=1S/C10H20N2/c1-2-3-4-5-8-12-9-6-11-7-10-12/h3-4,11H,2,5-10H2,1H3
InChIKeyWUIFXNHFUFQLHJ-UHFFFAOYSA-N
XLogP1.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-hex-3-enylpiperazine?
The IUPAC name of 1-hex-3-enylpiperazine (CID 57014890) is 1-hex-3-enylpiperazine.
What is the SMILES notation for 1-hex-3-enylpiperazine?
The canonical SMILES for 1-hex-3-enylpiperazine is CCC=CCCN1CCNCC1.
What is the InChIKey of 1-hex-3-enylpiperazine?
The InChIKey is WUIFXNHFUFQLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-2-3-4-5-8-12-9-6-11-7-10-12/h3-4,11H,2,5-10H2,1H3.
What are the key properties of 1-hex-3-enylpiperazine?
1-hex-3-enylpiperazine has a molecular weight of 168.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-3-enylpiperazine is sourced from PubChem (CID 57014890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).