1-hex-3-enyl-4-(2-methylpropyl)piperazine

C14H28N2 — CID 126811197

IUPAC1-hex-3-enyl-4-(2-methylpropyl)piperazine
SMILESCCC=CCCN1CCN(CC(C)C)CC1
InChIInChI=1S/C14H28N2/c1-4-5-6-7-8-15-9-11-16(12-10-15)13-14(2)3/h5-6,14H,4,7-13H2,1-3H3
InChIKeyHIMVKZWIDJPFNF-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.62
Rot. Bonds6

About 1-hex-3-enyl-4-(2-methylpropyl)piperazine

1-hex-3-enyl-4-(2-methylpropyl)piperazine (PubChem CID 126811197) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-hex-3-enyl-4-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-hex-3-enyl-4-(2-methylpropyl)piperazine
PubChem CID126811197
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-hex-3-enyl-4-(2-methylpropyl)piperazine
SMILESCCC=CCCN1CCN(CC(C)C)CC1
InChIInChI=1S/C14H28N2/c1-4-5-6-7-8-15-9-11-16(12-10-15)13-14(2)3/h5-6,14H,4,7-13H2,1-3H3
InChIKeyHIMVKZWIDJPFNF-UHFFFAOYSA-N
XLogP2.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
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-enyl-4-(2-methylpropyl)piperazine?
The IUPAC name of 1-hex-3-enyl-4-(2-methylpropyl)piperazine (CID 126811197) is 1-hex-3-enyl-4-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-hex-3-enyl-4-(2-methylpropyl)piperazine?
The canonical SMILES for 1-hex-3-enyl-4-(2-methylpropyl)piperazine is CCC=CCCN1CCN(CC(C)C)CC1.
What is the InChIKey of 1-hex-3-enyl-4-(2-methylpropyl)piperazine?
The InChIKey is HIMVKZWIDJPFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-5-6-7-8-15-9-11-16(12-10-15)13-14(2)3/h5-6,14H,4,7-13H2,1-3H3.
What are the key properties of 1-hex-3-enyl-4-(2-methylpropyl)piperazine?
1-hex-3-enyl-4-(2-methylpropyl)piperazine has a molecular weight of 224.39 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-3-enyl-4-(2-methylpropyl)piperazine is sourced from PubChem (CID 126811197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).