1-oct-7-enylpiperazine

C12H24N2 — CID 67041339

IUPAC1-oct-7-enylpiperazine
SMILESC=CCCCCCCN1CCNCC1
InChIInChI=1S/C12H24N2/c1-2-3-4-5-6-7-10-14-11-8-13-9-12-14/h2,13H,1,3-12H2
InChIKeyCRKOQBMYGWRLQY-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.03
Rot. Bonds7

About 1-oct-7-enylpiperazine

1-oct-7-enylpiperazine (PubChem CID 67041339) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-oct-7-enylpiperazine.

Molecular Properties

Compound Name1-oct-7-enylpiperazine
PubChem CID67041339
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-oct-7-enylpiperazine
SMILESC=CCCCCCCN1CCNCC1
InChIInChI=1S/C12H24N2/c1-2-3-4-5-6-7-10-14-11-8-13-9-12-14/h2,13H,1,3-12H2
InChIKeyCRKOQBMYGWRLQY-UHFFFAOYSA-N
XLogP2.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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ethane;1-octylpiperazine
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diazanium;1-docosylpiperazine;dibromide
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2-but-3-enoxy-N-(3-piperazin-1-ylpropyl)propanamide
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1-(1,4-diazepan-1-yl)hept-6-en-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-oct-7-enylpiperazine?
The IUPAC name of 1-oct-7-enylpiperazine (CID 67041339) is 1-oct-7-enylpiperazine.
What is the SMILES notation for 1-oct-7-enylpiperazine?
The canonical SMILES for 1-oct-7-enylpiperazine is C=CCCCCCCN1CCNCC1.
What is the InChIKey of 1-oct-7-enylpiperazine?
The InChIKey is CRKOQBMYGWRLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-2-3-4-5-6-7-10-14-11-8-13-9-12-14/h2,13H,1,3-12H2.
What are the key properties of 1-oct-7-enylpiperazine?
1-oct-7-enylpiperazine has a molecular weight of 196.34 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oct-7-enylpiperazine is sourced from PubChem (CID 67041339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).