1-(2-butoxyethyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine

C17H36N2O — CID 64838649

IUPAC1-(2-butoxyethyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine
SMILESCCCCOCCN1CC(C(C)C)NCC1CC(C)C
InChIInChI=1S/C17H36N2O/c1-6-7-9-20-10-8-19-13-17(15(4)5)18-12-16(19)11-14(2)3/h14-18H,6-13H2,1-5H3
InChIKeyOHJVAPHLSUZPDA-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.15
Rot. Bonds9

About 1-(2-butoxyethyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine

1-(2-butoxyethyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine (PubChem CID 64838649) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 1-(2-butoxyethyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2-butoxyethyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine
PubChem CID64838649
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name1-(2-butoxyethyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine
SMILESCCCCOCCN1CC(C(C)C)NCC1CC(C)C
InChIInChI=1S/C17H36N2O/c1-6-7-9-20-10-8-19-13-17(15(4)5)18-12-16(19)11-14(2)3/h14-18H,6-13H2,1-5H3
InChIKeyOHJVAPHLSUZPDA-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-butoxyethyl)-2-ethyl-5-propan-2-ylpiperazine
CID 64834120
1-[2-(2-methoxyethoxy)ethyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64840397
1-[3-(2-methoxyethoxy)propyl]-5-propan-2-yl-2-propylpiperazine
CID 103414058
1-[2-(3-methylbutoxy)ethyl]-2-(2-methylpropyl)-5-propylpiperazine
CID 64839963
1,2-bis(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64838842
1-(2-ethoxyethyl)-5-methyl-2-(2-methylpropyl)piperazine
CID 64845397
2-ethyl-1-hexyl-5-propan-2-ylpiperazine
CID 64833921
2,5-di(propan-2-yl)-1-(3-propoxypropyl)piperazine
CID 82947777
(1-pentyl-5-propan-2-ylpiperazin-2-yl)methanol
CID 82242691
1-(3-methylbut-2-enyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 114014084
1-(2-butoxyethyl)-5-methyl-2-propan-2-ylpiperazine
CID 64845683
2-tert-butyl-1-(2-ethoxyethyl)-5-propan-2-ylpiperazine
CID 64838851

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine?
The IUPAC name of 1-(2-butoxyethyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine (CID 64838649) is 1-(2-butoxyethyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2-butoxyethyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine?
The canonical SMILES for 1-(2-butoxyethyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine is CCCCOCCN1CC(C(C)C)NCC1CC(C)C.
What is the InChIKey of 1-(2-butoxyethyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine?
The InChIKey is OHJVAPHLSUZPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-6-7-9-20-10-8-19-13-17(15(4)5)18-12-16(19)11-14(2)3/h14-18H,6-13H2,1-5H3.
What are the key properties of 1-(2-butoxyethyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine?
1-(2-butoxyethyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine has a molecular weight of 284.49 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine is sourced from PubChem (CID 64838649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).