2-butan-2-yl-1-(2-ethoxyethyl)-5-propan-2-ylpiperazine

C15H32N2O — CID 64839227

IUPAC2-butan-2-yl-1-(2-ethoxyethyl)-5-propan-2-ylpiperazine
SMILESCCOCCN1CC(C(C)C)NCC1C(C)CC
InChIInChI=1S/C15H32N2O/c1-6-13(5)15-10-16-14(12(3)4)11-17(15)8-9-18-7-2/h12-16H,6-11H2,1-5H3
InChIKeyBVTYXFGTDHNVCG-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.37
Rot. Bonds7

About 2-butan-2-yl-1-(2-ethoxyethyl)-5-propan-2-ylpiperazine

2-butan-2-yl-1-(2-ethoxyethyl)-5-propan-2-ylpiperazine (PubChem CID 64839227) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-butan-2-yl-1-(2-ethoxyethyl)-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-butan-2-yl-1-(2-ethoxyethyl)-5-propan-2-ylpiperazine
PubChem CID64839227
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-butan-2-yl-1-(2-ethoxyethyl)-5-propan-2-ylpiperazine
SMILESCCOCCN1CC(C(C)C)NCC1C(C)CC
InChIInChI=1S/C15H32N2O/c1-6-13(5)15-10-16-14(12(3)4)11-17(15)8-9-18-7-2/h12-16H,6-11H2,1-5H3
InChIKeyBVTYXFGTDHNVCG-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
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 2-butan-2-yl-1-(2-ethoxyethyl)-5-propan-2-ylpiperazine?
The IUPAC name of 2-butan-2-yl-1-(2-ethoxyethyl)-5-propan-2-ylpiperazine (CID 64839227) is 2-butan-2-yl-1-(2-ethoxyethyl)-5-propan-2-ylpiperazine.
What is the SMILES notation for 2-butan-2-yl-1-(2-ethoxyethyl)-5-propan-2-ylpiperazine?
The canonical SMILES for 2-butan-2-yl-1-(2-ethoxyethyl)-5-propan-2-ylpiperazine is CCOCCN1CC(C(C)C)NCC1C(C)CC.
What is the InChIKey of 2-butan-2-yl-1-(2-ethoxyethyl)-5-propan-2-ylpiperazine?
The InChIKey is BVTYXFGTDHNVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-6-13(5)15-10-16-14(12(3)4)11-17(15)8-9-18-7-2/h12-16H,6-11H2,1-5H3.
What are the key properties of 2-butan-2-yl-1-(2-ethoxyethyl)-5-propan-2-ylpiperazine?
2-butan-2-yl-1-(2-ethoxyethyl)-5-propan-2-ylpiperazine has a molecular weight of 256.43 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-(2-ethoxyethyl)-5-propan-2-ylpiperazine is sourced from PubChem (CID 64839227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).