1-octadec-9-enylpiperazine

C22H44N2 — CID 54246941

IUPAC1-octadec-9-enylpiperazine
SMILESCCCCCCCCC=CCCCCCCCCN1CCNCC1
InChIInChI=1S/C22H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-21-18-23-19-22-24/h9-10,23H,2-8,11-22H2,1H3
InChIKeyQTXSYHRZINPBEJ-UHFFFAOYSA-N
MW336.61 g/mol
LogP5.93
Rot. Bonds16

About 1-octadec-9-enylpiperazine

1-octadec-9-enylpiperazine (PubChem CID 54246941) has the molecular formula C22H44N2 and a molecular weight of 336.61 g/mol. Its IUPAC name is 1-octadec-9-enylpiperazine.

Molecular Properties

Compound Name1-octadec-9-enylpiperazine
PubChem CID54246941
Molecular FormulaC22H44N2
Molecular Weight336.61 g/mol
Exact Mass336.35
IUPAC Name1-octadec-9-enylpiperazine
SMILESCCCCCCCCC=CCCCCCCCCN1CCNCC1
InChIInChI=1S/C22H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-21-18-23-19-22-24/h9-10,23H,2-8,11-22H2,1H3
InChIKeyQTXSYHRZINPBEJ-UHFFFAOYSA-N
XLogP5.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.61
LogP ≤ 55.93
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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Frequently Asked Questions

What is the IUPAC name of 1-octadec-9-enylpiperazine?
The IUPAC name of 1-octadec-9-enylpiperazine (CID 54246941) is 1-octadec-9-enylpiperazine.
What is the SMILES notation for 1-octadec-9-enylpiperazine?
The canonical SMILES for 1-octadec-9-enylpiperazine is CCCCCCCCC=CCCCCCCCCN1CCNCC1.
What is the InChIKey of 1-octadec-9-enylpiperazine?
The InChIKey is QTXSYHRZINPBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-21-18-23-19-22-24/h9-10,23H,2-8,11-22H2,1H3.
What are the key properties of 1-octadec-9-enylpiperazine?
1-octadec-9-enylpiperazine has a molecular weight of 336.61 g/mol, XLogP of 5.93, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octadec-9-enylpiperazine is sourced from PubChem (CID 54246941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).