1-octyl-2-propan-2-yl-5-propylpiperazine

C18H38N2 — CID 64840134

IUPAC1-octyl-2-propan-2-yl-5-propylpiperazine
SMILESCCCCCCCCN1CC(CCC)NCC1C(C)C
InChIInChI=1S/C18H38N2/c1-5-7-8-9-10-11-13-20-15-17(12-6-2)19-14-18(20)16(3)4/h16-19H,5-15H2,1-4H3
InChIKeyXYMXZHYISFJSNB-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.45
Rot. Bonds10

About 1-octyl-2-propan-2-yl-5-propylpiperazine

1-octyl-2-propan-2-yl-5-propylpiperazine (PubChem CID 64840134) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 1-octyl-2-propan-2-yl-5-propylpiperazine.

Molecular Properties

Compound Name1-octyl-2-propan-2-yl-5-propylpiperazine
PubChem CID64840134
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name1-octyl-2-propan-2-yl-5-propylpiperazine
SMILESCCCCCCCCN1CC(CCC)NCC1C(C)C
InChIInChI=1S/C18H38N2/c1-5-7-8-9-10-11-13-20-15-17(12-6-2)19-14-18(20)16(3)4/h16-19H,5-15H2,1-4H3
InChIKeyXYMXZHYISFJSNB-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butan-2-yl-1-pentyl-5-propylpiperazine
CID 64839559
1-(3-ethylsulfonylpropyl)-2-propan-2-yl-5-propylpiperazine
CID 65097056
1-(3,3-dimethylbutyl)-2-propan-2-yl-5-propylpiperazine
CID 64838194
2-butan-2-yl-5-ethyl-1-octylpiperazine
CID 64842711
2-butan-2-yl-5-ethyl-1-heptylpiperazine
CID 64840963
2-(2-methylpropyl)-1-pentyl-5-propylpiperazine
CID 64839965
2-butan-2-yl-1-heptyl-5-(2-methylpropyl)piperazine
CID 64850090
2-butan-2-yl-1-(3-fluoropropyl)-5-propylpiperazine
CID 81114309
5-(2-methylpropyl)-1-octyl-2-propylpiperazine
CID 64847186
2-butan-2-yl-1-[3-(2-methoxyethoxy)propyl]-5-propylpiperazine
CID 103414108
1-(3-methoxy-2-methylpropyl)-2-propan-2-yl-5-propylpiperazine
CID 64946200
5-ethyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008717

Frequently Asked Questions

What is the IUPAC name of 1-octyl-2-propan-2-yl-5-propylpiperazine?
The IUPAC name of 1-octyl-2-propan-2-yl-5-propylpiperazine (CID 64840134) is 1-octyl-2-propan-2-yl-5-propylpiperazine.
What is the SMILES notation for 1-octyl-2-propan-2-yl-5-propylpiperazine?
The canonical SMILES for 1-octyl-2-propan-2-yl-5-propylpiperazine is CCCCCCCCN1CC(CCC)NCC1C(C)C.
What is the InChIKey of 1-octyl-2-propan-2-yl-5-propylpiperazine?
The InChIKey is XYMXZHYISFJSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-5-7-8-9-10-11-13-20-15-17(12-6-2)19-14-18(20)16(3)4/h16-19H,5-15H2,1-4H3.
What are the key properties of 1-octyl-2-propan-2-yl-5-propylpiperazine?
1-octyl-2-propan-2-yl-5-propylpiperazine has a molecular weight of 282.52 g/mol, XLogP of 4.45, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octyl-2-propan-2-yl-5-propylpiperazine is sourced from PubChem (CID 64840134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).