1-hex-1-en-5-yn-2-yl-4-methylpiperazine

C11H18N2 — CID 139355039

IUPAC1-hex-1-en-5-yn-2-yl-4-methylpiperazine
SMILESC#CCCC(=C)N1CCN(C)CC1
InChIInChI=1S/C11H18N2/c1-4-5-6-11(2)13-9-7-12(3)8-10-13/h1H,2,5-10H2,3H3
InChIKeyRRJMVGYRGKDTTM-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.16
Rot. Bonds3

About 1-hex-1-en-5-yn-2-yl-4-methylpiperazine

1-hex-1-en-5-yn-2-yl-4-methylpiperazine (PubChem CID 139355039) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-hex-1-en-5-yn-2-yl-4-methylpiperazine.

Molecular Properties

Compound Name1-hex-1-en-5-yn-2-yl-4-methylpiperazine
PubChem CID139355039
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-hex-1-en-5-yn-2-yl-4-methylpiperazine
SMILESC#CCCC(=C)N1CCN(C)CC1
InChIInChI=1S/C11H18N2/c1-4-5-6-11(2)13-9-7-12(3)8-10-13/h1H,2,5-10H2,3H3
InChIKeyRRJMVGYRGKDTTM-UHFFFAOYSA-N
XLogP1.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hex-1-en-5-yn-2-yl-4-methylpiperazine?
The IUPAC name of 1-hex-1-en-5-yn-2-yl-4-methylpiperazine (CID 139355039) is 1-hex-1-en-5-yn-2-yl-4-methylpiperazine.
What is the SMILES notation for 1-hex-1-en-5-yn-2-yl-4-methylpiperazine?
The canonical SMILES for 1-hex-1-en-5-yn-2-yl-4-methylpiperazine is C#CCCC(=C)N1CCN(C)CC1.
What is the InChIKey of 1-hex-1-en-5-yn-2-yl-4-methylpiperazine?
The InChIKey is RRJMVGYRGKDTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-5-6-11(2)13-9-7-12(3)8-10-13/h1H,2,5-10H2,3H3.
What are the key properties of 1-hex-1-en-5-yn-2-yl-4-methylpiperazine?
1-hex-1-en-5-yn-2-yl-4-methylpiperazine has a molecular weight of 178.28 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-1-en-5-yn-2-yl-4-methylpiperazine is sourced from PubChem (CID 139355039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).