5-cyclopropyl-2,2-diethyl-1-(4-methoxybutyl)-5-methylpiperazine

C17H34N2O — CID 104650286

IUPAC5-cyclopropyl-2,2-diethyl-1-(4-methoxybutyl)-5-methylpiperazine
SMILESCCC1(CC)CNC(C)(C2CC2)CN1CCCCOC
InChIInChI=1S/C17H34N2O/c1-5-17(6-2)13-18-16(3,15-9-10-15)14-19(17)11-7-8-12-20-4/h15,18H,5-14H2,1-4H3
InChIKeyBCTVEMLIBRMHMS-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.05
Rot. Bonds8

About 5-cyclopropyl-2,2-diethyl-1-(4-methoxybutyl)-5-methylpiperazine

5-cyclopropyl-2,2-diethyl-1-(4-methoxybutyl)-5-methylpiperazine (PubChem CID 104650286) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 5-cyclopropyl-2,2-diethyl-1-(4-methoxybutyl)-5-methylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-2,2-diethyl-1-(4-methoxybutyl)-5-methylpiperazine
PubChem CID104650286
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name5-cyclopropyl-2,2-diethyl-1-(4-methoxybutyl)-5-methylpiperazine
SMILESCCC1(CC)CNC(C)(C2CC2)CN1CCCCOC
InChIInChI=1S/C17H34N2O/c1-5-17(6-2)13-18-16(3,15-9-10-15)14-19(17)11-7-8-12-20-4/h15,18H,5-14H2,1-4H3
InChIKeyBCTVEMLIBRMHMS-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-cyclopropyl-2,2-diethyl-1-(4-methoxybutyl)-5-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2,2-diethyl-1-(4-methoxybutyl)-5-methylpiperazine?
The IUPAC name of 5-cyclopropyl-2,2-diethyl-1-(4-methoxybutyl)-5-methylpiperazine (CID 104650286) is 5-cyclopropyl-2,2-diethyl-1-(4-methoxybutyl)-5-methylpiperazine.
What is the SMILES notation for 5-cyclopropyl-2,2-diethyl-1-(4-methoxybutyl)-5-methylpiperazine?
The canonical SMILES for 5-cyclopropyl-2,2-diethyl-1-(4-methoxybutyl)-5-methylpiperazine is CCC1(CC)CNC(C)(C2CC2)CN1CCCCOC.
What is the InChIKey of 5-cyclopropyl-2,2-diethyl-1-(4-methoxybutyl)-5-methylpiperazine?
The InChIKey is BCTVEMLIBRMHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-5-17(6-2)13-18-16(3,15-9-10-15)14-19(17)11-7-8-12-20-4/h15,18H,5-14H2,1-4H3.
What are the key properties of 5-cyclopropyl-2,2-diethyl-1-(4-methoxybutyl)-5-methylpiperazine?
5-cyclopropyl-2,2-diethyl-1-(4-methoxybutyl)-5-methylpiperazine has a molecular weight of 282.47 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2,2-diethyl-1-(4-methoxybutyl)-5-methylpiperazine is sourced from PubChem (CID 104650286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).