1-hept-2-enyl-2,5,6-trimethyl-3-piperazin-1-yl-2H-pyrazine

C18H32N4 — CID 69355727

IUPAC1-hept-2-enyl-2,5,6-trimethyl-3-piperazin-1-yl-2H-pyrazine
SMILESCCCCC=CCN1C(C)=C(C)N=C(N2CCNCC2)C1C
InChIInChI=1S/C18H32N4/c1-5-6-7-8-9-12-22-16(3)15(2)20-18(17(22)4)21-13-10-19-11-14-21/h8-9,17,19H,5-7,10-14H2,1-4H3
InChIKeyUZPJQOGWZWXNON-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.99
Rot. Bonds5

About 1-hept-2-enyl-2,5,6-trimethyl-3-piperazin-1-yl-2H-pyrazine

1-hept-2-enyl-2,5,6-trimethyl-3-piperazin-1-yl-2H-pyrazine (PubChem CID 69355727) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is 1-hept-2-enyl-2,5,6-trimethyl-3-piperazin-1-yl-2H-pyrazine.

Molecular Properties

Compound Name1-hept-2-enyl-2,5,6-trimethyl-3-piperazin-1-yl-2H-pyrazine
PubChem CID69355727
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC Name1-hept-2-enyl-2,5,6-trimethyl-3-piperazin-1-yl-2H-pyrazine
SMILESCCCCC=CCN1C(C)=C(C)N=C(N2CCNCC2)C1C
InChIInChI=1S/C18H32N4/c1-5-6-7-8-9-12-22-16(3)15(2)20-18(17(22)4)21-13-10-19-11-14-21/h8-9,17,19H,5-7,10-14H2,1-4H3
InChIKeyUZPJQOGWZWXNON-UHFFFAOYSA-N
XLogP2.99
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hept-2-enyl-2,5,6-trimethyl-3-piperazin-1-yl-2H-pyrazine?
The IUPAC name of 1-hept-2-enyl-2,5,6-trimethyl-3-piperazin-1-yl-2H-pyrazine (CID 69355727) is 1-hept-2-enyl-2,5,6-trimethyl-3-piperazin-1-yl-2H-pyrazine.
What is the SMILES notation for 1-hept-2-enyl-2,5,6-trimethyl-3-piperazin-1-yl-2H-pyrazine?
The canonical SMILES for 1-hept-2-enyl-2,5,6-trimethyl-3-piperazin-1-yl-2H-pyrazine is CCCCC=CCN1C(C)=C(C)N=C(N2CCNCC2)C1C.
What is the InChIKey of 1-hept-2-enyl-2,5,6-trimethyl-3-piperazin-1-yl-2H-pyrazine?
The InChIKey is UZPJQOGWZWXNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4/c1-5-6-7-8-9-12-22-16(3)15(2)20-18(17(22)4)21-13-10-19-11-14-21/h8-9,17,19H,5-7,10-14H2,1-4H3.
What are the key properties of 1-hept-2-enyl-2,5,6-trimethyl-3-piperazin-1-yl-2H-pyrazine?
1-hept-2-enyl-2,5,6-trimethyl-3-piperazin-1-yl-2H-pyrazine has a molecular weight of 304.48 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-2-enyl-2,5,6-trimethyl-3-piperazin-1-yl-2H-pyrazine is sourced from PubChem (CID 69355727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).