5-(2-methylpropyl)-1-octyl-2-propylpiperazine

C19H40N2 — CID 64847186

IUPAC5-(2-methylpropyl)-1-octyl-2-propylpiperazine
SMILESCCCCCCCCN1CC(CC(C)C)NCC1CCC
InChIInChI=1S/C19H40N2/c1-5-7-8-9-10-11-13-21-16-18(14-17(3)4)20-15-19(21)12-6-2/h17-20H,5-16H2,1-4H3
InChIKeyLGRWPWPGLUKXSG-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.84
Rot. Bonds11

About 5-(2-methylpropyl)-1-octyl-2-propylpiperazine

5-(2-methylpropyl)-1-octyl-2-propylpiperazine (PubChem CID 64847186) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 5-(2-methylpropyl)-1-octyl-2-propylpiperazine.

Molecular Properties

Compound Name5-(2-methylpropyl)-1-octyl-2-propylpiperazine
PubChem CID64847186
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name5-(2-methylpropyl)-1-octyl-2-propylpiperazine
SMILESCCCCCCCCN1CC(CC(C)C)NCC1CCC
InChIInChI=1S/C19H40N2/c1-5-7-8-9-10-11-13-21-16-18(14-17(3)4)20-15-19(21)12-6-2/h17-20H,5-16H2,1-4H3
InChIKeyLGRWPWPGLUKXSG-UHFFFAOYSA-N
XLogP4.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.84
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-ethyl-1-heptyl-5-(2-methylpropyl)piperazine
CID 64848724
2-(2-methylpropyl)-1-pentyl-5-propylpiperazine
CID 64839965
5-ethyl-1-octyl-2-propylpiperazine
CID 64841338
5-(2-methylpropyl)-1-(2-propan-2-yloxyethyl)-2-propylpiperazine
CID 64849887
2-butan-2-yl-1-heptyl-5-(2-methylpropyl)piperazine
CID 64850090
5-(2-methylpropyl)-1-(2-methylsulfonylethyl)-2-propylpiperazine
CID 64847770
1-(2-ethylhexyl)-5-(2-methylpropyl)-2-propylpiperazine
CID 64849696
2-ethyl-1-(5-methylhexyl)-5-(2-methylpropyl)piperazine
CID 115327036
5-tert-butyl-1-heptyl-2-propylpiperazine
CID 64841631
1-octyl-2-propan-2-yl-5-propylpiperazine
CID 64840134
1-(3-fluoropropyl)-2,5-dipropylpiperazine
CID 81114186
2-ethyl-1-(3-ethylsulfonylpropyl)-5-(2-methylpropyl)piperazine
CID 65097214

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-1-octyl-2-propylpiperazine?
The IUPAC name of 5-(2-methylpropyl)-1-octyl-2-propylpiperazine (CID 64847186) is 5-(2-methylpropyl)-1-octyl-2-propylpiperazine.
What is the SMILES notation for 5-(2-methylpropyl)-1-octyl-2-propylpiperazine?
The canonical SMILES for 5-(2-methylpropyl)-1-octyl-2-propylpiperazine is CCCCCCCCN1CC(CC(C)C)NCC1CCC.
What is the InChIKey of 5-(2-methylpropyl)-1-octyl-2-propylpiperazine?
The InChIKey is LGRWPWPGLUKXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-5-7-8-9-10-11-13-21-16-18(14-17(3)4)20-15-19(21)12-6-2/h17-20H,5-16H2,1-4H3.
What are the key properties of 5-(2-methylpropyl)-1-octyl-2-propylpiperazine?
5-(2-methylpropyl)-1-octyl-2-propylpiperazine has a molecular weight of 296.54 g/mol, XLogP of 4.84, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-1-octyl-2-propylpiperazine is sourced from PubChem (CID 64847186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).