2-butan-2-yl-1-[3-(2-methoxyethoxy)propyl]-5-propylpiperazine

C17H36N2O2 — CID 103414108

IUPAC2-butan-2-yl-1-[3-(2-methoxyethoxy)propyl]-5-propylpiperazine
SMILESCCCC1CN(CCCOCCOC)C(C(C)CC)CN1
InChIInChI=1S/C17H36N2O2/c1-5-8-16-14-19(9-7-10-21-12-11-20-4)17(13-18-16)15(3)6-2/h15-18H,5-14H2,1-4H3
InChIKeyUJHRCGVWTHXENG-UHFFFAOYSA-N
MW300.49 g/mol
LogP2.53
Rot. Bonds11

About 2-butan-2-yl-1-[3-(2-methoxyethoxy)propyl]-5-propylpiperazine

2-butan-2-yl-1-[3-(2-methoxyethoxy)propyl]-5-propylpiperazine (PubChem CID 103414108) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 2-butan-2-yl-1-[3-(2-methoxyethoxy)propyl]-5-propylpiperazine.

Molecular Properties

Compound Name2-butan-2-yl-1-[3-(2-methoxyethoxy)propyl]-5-propylpiperazine
PubChem CID103414108
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Name2-butan-2-yl-1-[3-(2-methoxyethoxy)propyl]-5-propylpiperazine
SMILESCCCC1CN(CCCOCCOC)C(C(C)CC)CN1
InChIInChI=1S/C17H36N2O2/c1-5-8-16-14-19(9-7-10-21-12-11-20-4)17(13-18-16)15(3)6-2/h15-18H,5-14H2,1-4H3
InChIKeyUJHRCGVWTHXENG-UHFFFAOYSA-N
XLogP2.53
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
2-butan-2-yl-5-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 64843102
2-butan-2-yl-5-ethyl-1-(4-methoxybutyl)piperazine
CID 104650200
2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine
CID 64848161
2-butan-2-yl-1-(3-fluoropropyl)-5-propylpiperazine
CID 81114309
2-butan-2-yl-5-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 64861848
2-butan-2-yl-5-cyclopropyl-1-(3-methoxypropyl)piperazine
CID 64862424
2-butan-2-yl-5-ethyl-1-octylpiperazine
CID 64842711
1-octyl-2-propan-2-yl-5-propylpiperazine
CID 64840134
2-butan-2-yl-5-ethyl-1-heptylpiperazine
CID 64840963
1-[3-(2-methoxyethoxy)propyl]-5-propan-2-yl-2-propylpiperazine
CID 103414058
2-butan-2-yl-1-heptyl-5-(2-methylpropyl)piperazine
CID 64850090

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-[3-(2-methoxyethoxy)propyl]-5-propylpiperazine?
The IUPAC name of 2-butan-2-yl-1-[3-(2-methoxyethoxy)propyl]-5-propylpiperazine (CID 103414108) is 2-butan-2-yl-1-[3-(2-methoxyethoxy)propyl]-5-propylpiperazine.
What is the SMILES notation for 2-butan-2-yl-1-[3-(2-methoxyethoxy)propyl]-5-propylpiperazine?
The canonical SMILES for 2-butan-2-yl-1-[3-(2-methoxyethoxy)propyl]-5-propylpiperazine is CCCC1CN(CCCOCCOC)C(C(C)CC)CN1.
What is the InChIKey of 2-butan-2-yl-1-[3-(2-methoxyethoxy)propyl]-5-propylpiperazine?
The InChIKey is UJHRCGVWTHXENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-5-8-16-14-19(9-7-10-21-12-11-20-4)17(13-18-16)15(3)6-2/h15-18H,5-14H2,1-4H3.
What are the key properties of 2-butan-2-yl-1-[3-(2-methoxyethoxy)propyl]-5-propylpiperazine?
2-butan-2-yl-1-[3-(2-methoxyethoxy)propyl]-5-propylpiperazine has a molecular weight of 300.49 g/mol, XLogP of 2.53, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-[3-(2-methoxyethoxy)propyl]-5-propylpiperazine is sourced from PubChem (CID 103414108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).