2-octadecylpiperazine

C22H46N2 — CID 155671137

IUPAC2-octadecylpiperazine
SMILESCCCCCCCCCCCCCCCCCCC1CNCCN1
InChIInChI=1S/C22H46N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-21-23-19-20-24-22/h22-24H,2-21H2,1H3
InChIKeyITPWLUPQQYOLAC-UHFFFAOYSA-N
MW338.62 g/mol
LogP6.20
Rot. Bonds17

About 2-octadecylpiperazine

2-octadecylpiperazine (PubChem CID 155671137) has the molecular formula C22H46N2 and a molecular weight of 338.62 g/mol. Its IUPAC name is 2-octadecylpiperazine.

Molecular Properties

Compound Name2-octadecylpiperazine
PubChem CID155671137
Molecular FormulaC22H46N2
Molecular Weight338.62 g/mol
Exact Mass338.37
IUPAC Name2-octadecylpiperazine
SMILESCCCCCCCCCCCCCCCCCCC1CNCCN1
InChIInChI=1S/C22H46N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-21-23-19-20-24-22/h22-24H,2-21H2,1H3
InChIKeyITPWLUPQQYOLAC-UHFFFAOYSA-N
XLogP6.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.62
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-butylpiperazine
CID 11182666
2-pentylaziridine
CID 19101061
2-butylpiperazine;pyridine
CID 174839886
15-hexadecyl-1,4,7,10,13-pentazacyclohexadecane
CID 14178837
(2S)-2-hexylpyrrolidine
CID 7047826
2-hexyl-5-methylpiperazine
CID 153393891
2-tetradecylpiperidine
CID 151771246
2-tridecylimidazolidine
CID 54282172
2-heptadecylazepane
CID 4009189
(2R)-2-(2-bromoethyl)piperazine
CID 69174498
dichloromanganese;methane;4-[(2S)-1,4,7,10,13-pentazacyclopentadec-2-yl]butan-1-amine
CID 161252729
ethane;2-(2-methoxyethyl)piperazine;propane
CID 143332825

Frequently Asked Questions

What is the IUPAC name of 2-octadecylpiperazine?
The IUPAC name of 2-octadecylpiperazine (CID 155671137) is 2-octadecylpiperazine.
What is the SMILES notation for 2-octadecylpiperazine?
The canonical SMILES for 2-octadecylpiperazine is CCCCCCCCCCCCCCCCCCC1CNCCN1.
What is the InChIKey of 2-octadecylpiperazine?
The InChIKey is ITPWLUPQQYOLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-21-23-19-20-24-22/h22-24H,2-21H2,1H3.
What are the key properties of 2-octadecylpiperazine?
2-octadecylpiperazine has a molecular weight of 338.62 g/mol, XLogP of 6.20, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octadecylpiperazine is sourced from PubChem (CID 155671137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).