1-[2-(3-methylbutoxy)ethyl]-2-(2-methylpropyl)-5-propylpiperazine

C18H38N2O — CID 64839963

IUPAC1-[2-(3-methylbutoxy)ethyl]-2-(2-methylpropyl)-5-propylpiperazine
SMILESCCCC1CN(CCOCCC(C)C)C(CC(C)C)CN1
InChIInChI=1S/C18H38N2O/c1-6-7-17-14-20(9-11-21-10-8-15(2)3)18(13-19-17)12-16(4)5/h15-19H,6-14H2,1-5H3
InChIKeyJFIRDAUIAXSADK-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.54
Rot. Bonds10

About 1-[2-(3-methylbutoxy)ethyl]-2-(2-methylpropyl)-5-propylpiperazine

1-[2-(3-methylbutoxy)ethyl]-2-(2-methylpropyl)-5-propylpiperazine (PubChem CID 64839963) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 1-[2-(3-methylbutoxy)ethyl]-2-(2-methylpropyl)-5-propylpiperazine.

Molecular Properties

Compound Name1-[2-(3-methylbutoxy)ethyl]-2-(2-methylpropyl)-5-propylpiperazine
PubChem CID64839963
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name1-[2-(3-methylbutoxy)ethyl]-2-(2-methylpropyl)-5-propylpiperazine
SMILESCCCC1CN(CCOCCC(C)C)C(CC(C)C)CN1
InChIInChI=1S/C18H38N2O/c1-6-7-17-14-20(9-11-21-10-8-15(2)3)18(13-19-17)12-16(4)5/h15-19H,6-14H2,1-5H3
InChIKeyJFIRDAUIAXSADK-UHFFFAOYSA-N
XLogP3.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(3-methylbutoxy)ethyl]-2-(2-methylpropyl)-5-propylpiperazine with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-methylpropyl)-1-pentyl-5-propylpiperazine
CID 64839965
1-(2-ethoxyethyl)-2,5-dipropylpiperazine
CID 64844595
1-(2-ethoxyethyl)-2-ethyl-5-propylpiperazine
CID 64846765
2-(2-methylpropyl)-1-(2-propan-2-ylsulfonylethyl)-5-propylpiperazine
CID 106732868
5-(2-methylpropyl)-1-(2-propan-2-yloxyethyl)-2-propylpiperazine
CID 64849887
1-(2-butoxyethyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64838649
2-ethyl-5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 64845197
1-(cyclopentylmethyl)-2-(2-methylpropyl)-5-propylpiperazine
CID 64840737
1-(2-ethoxyethyl)-5-methyl-2-(2-methylpropyl)piperazine
CID 64845397
5-tert-butyl-2-ethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64841627
2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]-5-propylpiperazine
CID 64839580
1-(2-butoxyethyl)-2-methyl-5-propylpiperazine
CID 64846186

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylbutoxy)ethyl]-2-(2-methylpropyl)-5-propylpiperazine?
The IUPAC name of 1-[2-(3-methylbutoxy)ethyl]-2-(2-methylpropyl)-5-propylpiperazine (CID 64839963) is 1-[2-(3-methylbutoxy)ethyl]-2-(2-methylpropyl)-5-propylpiperazine.
What is the SMILES notation for 1-[2-(3-methylbutoxy)ethyl]-2-(2-methylpropyl)-5-propylpiperazine?
The canonical SMILES for 1-[2-(3-methylbutoxy)ethyl]-2-(2-methylpropyl)-5-propylpiperazine is CCCC1CN(CCOCCC(C)C)C(CC(C)C)CN1.
What is the InChIKey of 1-[2-(3-methylbutoxy)ethyl]-2-(2-methylpropyl)-5-propylpiperazine?
The InChIKey is JFIRDAUIAXSADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-6-7-17-14-20(9-11-21-10-8-15(2)3)18(13-19-17)12-16(4)5/h15-19H,6-14H2,1-5H3.
What are the key properties of 1-[2-(3-methylbutoxy)ethyl]-2-(2-methylpropyl)-5-propylpiperazine?
1-[2-(3-methylbutoxy)ethyl]-2-(2-methylpropyl)-5-propylpiperazine has a molecular weight of 298.51 g/mol, XLogP of 3.54, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylbutoxy)ethyl]-2-(2-methylpropyl)-5-propylpiperazine is sourced from PubChem (CID 64839963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).