1-ethyl-4-[(E)-octadec-9-enyl]piperazine

C24H48N2 — CID 21399242

IUPAC1-ethyl-4-[(E)-octadec-9-enyl]piperazine
SMILESCCCCCCCC/C=C/CCCCCCCCN1CCN(CC)CC1
InChIInChI=1S/C24H48N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-23-21-25(4-2)22-24-26/h11-12H,3-10,13-24H2,1-2H3/b12-11+
InChIKeyBJHMOKACJURKLF-VAWYXSNFSA-N
MW364.66 g/mol
LogP6.66
Rot. Bonds17

About 1-ethyl-4-[(E)-octadec-9-enyl]piperazine

1-ethyl-4-[(E)-octadec-9-enyl]piperazine (PubChem CID 21399242) has the molecular formula C24H48N2 and a molecular weight of 364.66 g/mol. Its IUPAC name is 1-ethyl-4-[(E)-octadec-9-enyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(E)-octadec-9-enyl]piperazine
PubChem CID21399242
Molecular FormulaC24H48N2
Molecular Weight364.66 g/mol
Exact Mass364.38
IUPAC Name1-ethyl-4-[(E)-octadec-9-enyl]piperazine
SMILESCCCCCCCC/C=C/CCCCCCCCN1CCN(CC)CC1
InChIInChI=1S/C24H48N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-23-21-25(4-2)22-24-26/h11-12H,3-10,13-24H2,1-2H3/b12-11+
InChIKeyBJHMOKACJURKLF-VAWYXSNFSA-N
XLogP6.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.66
LogP ≤ 56.66
H-Bond Donors ≤ 50
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-ethyl-4-[(E)-octadec-9-enyl]piperazine?
The IUPAC name of 1-ethyl-4-[(E)-octadec-9-enyl]piperazine (CID 21399242) is 1-ethyl-4-[(E)-octadec-9-enyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(E)-octadec-9-enyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(E)-octadec-9-enyl]piperazine is CCCCCCCC/C=C/CCCCCCCCN1CCN(CC)CC1.
What is the InChIKey of 1-ethyl-4-[(E)-octadec-9-enyl]piperazine?
The InChIKey is BJHMOKACJURKLF-VAWYXSNFSA-N. The full InChI is InChI=1S/C24H48N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-23-21-25(4-2)22-24-26/h11-12H,3-10,13-24H2,1-2H3/b12-11+.
What are the key properties of 1-ethyl-4-[(E)-octadec-9-enyl]piperazine?
1-ethyl-4-[(E)-octadec-9-enyl]piperazine has a molecular weight of 364.66 g/mol, XLogP of 6.66, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(E)-octadec-9-enyl]piperazine is sourced from PubChem (CID 21399242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).