2-ethyl-1-heptyl-5-(2-methylpropyl)piperazine

C17H36N2 — CID 64848724

IUPAC2-ethyl-1-heptyl-5-(2-methylpropyl)piperazine
SMILESCCCCCCCN1CC(CC(C)C)NCC1CC
InChIInChI=1S/C17H36N2/c1-5-7-8-9-10-11-19-14-16(12-15(3)4)18-13-17(19)6-2/h15-18H,5-14H2,1-4H3
InChIKeyMJOYQLCTXGWHNR-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.06
Rot. Bonds9

About 2-ethyl-1-heptyl-5-(2-methylpropyl)piperazine

2-ethyl-1-heptyl-5-(2-methylpropyl)piperazine (PubChem CID 64848724) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2-ethyl-1-heptyl-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name2-ethyl-1-heptyl-5-(2-methylpropyl)piperazine
PubChem CID64848724
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name2-ethyl-1-heptyl-5-(2-methylpropyl)piperazine
SMILESCCCCCCCN1CC(CC(C)C)NCC1CC
InChIInChI=1S/C17H36N2/c1-5-7-8-9-10-11-19-14-16(12-15(3)4)18-13-17(19)6-2/h15-18H,5-14H2,1-4H3
InChIKeyMJOYQLCTXGWHNR-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.06
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

5-(2-methylpropyl)-1-octyl-2-propylpiperazine
CID 64847186
2-ethyl-1-(5-methylhexyl)-5-(2-methylpropyl)piperazine
CID 115327036
2-(2-methylpropyl)-1-pentyl-5-propylpiperazine
CID 64839965
2-ethyl-1-(3-ethylsulfonylpropyl)-5-(2-methylpropyl)piperazine
CID 65097214
2-butan-2-yl-1-heptyl-5-(2-methylpropyl)piperazine
CID 64850090
2-ethyl-1-hexyl-5-propan-2-ylpiperazine
CID 64833921
1-(2-cyclopentylethyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 64934770
5-ethyl-1-octyl-2-propylpiperazine
CID 64841338
2-ethyl-1-(2-ethylbutyl)-5-(2-methylpropyl)piperazine
CID 82925413
1-(2,3-dimethylbutyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 64941869
1-(2-tert-butylsulfonylethyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 106733055
1-(3,3-dimethylbutyl)-2,5-bis(2-methylpropyl)piperazine
CID 64848550

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-heptyl-5-(2-methylpropyl)piperazine?
The IUPAC name of 2-ethyl-1-heptyl-5-(2-methylpropyl)piperazine (CID 64848724) is 2-ethyl-1-heptyl-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 2-ethyl-1-heptyl-5-(2-methylpropyl)piperazine?
The canonical SMILES for 2-ethyl-1-heptyl-5-(2-methylpropyl)piperazine is CCCCCCCN1CC(CC(C)C)NCC1CC.
What is the InChIKey of 2-ethyl-1-heptyl-5-(2-methylpropyl)piperazine?
The InChIKey is MJOYQLCTXGWHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-5-7-8-9-10-11-19-14-16(12-15(3)4)18-13-17(19)6-2/h15-18H,5-14H2,1-4H3.
What are the key properties of 2-ethyl-1-heptyl-5-(2-methylpropyl)piperazine?
2-ethyl-1-heptyl-5-(2-methylpropyl)piperazine has a molecular weight of 268.49 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-heptyl-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 64848724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).