5-ethyl-1-(4-methoxybutyl)-5-methyl-2-propan-2-ylpiperazine

C15H32N2O — CID 64947304

IUPAC5-ethyl-1-(4-methoxybutyl)-5-methyl-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(CCCCOC)C(C(C)C)CN1
InChIInChI=1S/C15H32N2O/c1-6-15(4)12-17(9-7-8-10-18-5)14(11-16-15)13(2)3/h13-14,16H,6-12H2,1-5H3
InChIKeyMTIPKXIEBTXGMC-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds7

About 5-ethyl-1-(4-methoxybutyl)-5-methyl-2-propan-2-ylpiperazine

5-ethyl-1-(4-methoxybutyl)-5-methyl-2-propan-2-ylpiperazine (PubChem CID 64947304) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 5-ethyl-1-(4-methoxybutyl)-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-ethyl-1-(4-methoxybutyl)-5-methyl-2-propan-2-ylpiperazine
PubChem CID64947304
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name5-ethyl-1-(4-methoxybutyl)-5-methyl-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(CCCCOC)C(C(C)C)CN1
InChIInChI=1S/C15H32N2O/c1-6-15(4)12-17(9-7-8-10-18-5)14(11-16-15)13(2)3/h13-14,16H,6-12H2,1-5H3
InChIKeyMTIPKXIEBTXGMC-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
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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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-methoxybutyl)-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 5-ethyl-1-(4-methoxybutyl)-5-methyl-2-propan-2-ylpiperazine (CID 64947304) is 5-ethyl-1-(4-methoxybutyl)-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-ethyl-1-(4-methoxybutyl)-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 5-ethyl-1-(4-methoxybutyl)-5-methyl-2-propan-2-ylpiperazine is CCC1(C)CN(CCCCOC)C(C(C)C)CN1.
What is the InChIKey of 5-ethyl-1-(4-methoxybutyl)-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is MTIPKXIEBTXGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-6-15(4)12-17(9-7-8-10-18-5)14(11-16-15)13(2)3/h13-14,16H,6-12H2,1-5H3.
What are the key properties of 5-ethyl-1-(4-methoxybutyl)-5-methyl-2-propan-2-ylpiperazine?
5-ethyl-1-(4-methoxybutyl)-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-methoxybutyl)-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64947304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).