2-butan-2-yl-5,5-diethyl-1-(3-methoxy-3-methylbutyl)piperazine

C18H38N2O — CID 103016623

IUPAC2-butan-2-yl-5,5-diethyl-1-(3-methoxy-3-methylbutyl)piperazine
SMILESCCC(C)C1CNC(CC)(CC)CN1CCC(C)(C)OC
InChIInChI=1S/C18H38N2O/c1-8-15(4)16-13-19-18(9-2,10-3)14-20(16)12-11-17(5,6)21-7/h15-16,19H,8-14H2,1-7H3
InChIKeyGPENIIDNRKOYRF-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.68
Rot. Bonds8

About 2-butan-2-yl-5,5-diethyl-1-(3-methoxy-3-methylbutyl)piperazine

2-butan-2-yl-5,5-diethyl-1-(3-methoxy-3-methylbutyl)piperazine (PubChem CID 103016623) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 2-butan-2-yl-5,5-diethyl-1-(3-methoxy-3-methylbutyl)piperazine.

Molecular Properties

Compound Name2-butan-2-yl-5,5-diethyl-1-(3-methoxy-3-methylbutyl)piperazine
PubChem CID103016623
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name2-butan-2-yl-5,5-diethyl-1-(3-methoxy-3-methylbutyl)piperazine
SMILESCCC(C)C1CNC(CC)(CC)CN1CCC(C)(C)OC
InChIInChI=1S/C18H38N2O/c1-8-15(4)16-13-19-18(9-2,10-3)14-20(16)12-11-17(5,6)21-7/h15-16,19H,8-14H2,1-7H3
InChIKeyGPENIIDNRKOYRF-UHFFFAOYSA-N
XLogP3.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5,5-diethyl-1-(3-methoxy-3-methylbutyl)piperazine?
The IUPAC name of 2-butan-2-yl-5,5-diethyl-1-(3-methoxy-3-methylbutyl)piperazine (CID 103016623) is 2-butan-2-yl-5,5-diethyl-1-(3-methoxy-3-methylbutyl)piperazine.
What is the SMILES notation for 2-butan-2-yl-5,5-diethyl-1-(3-methoxy-3-methylbutyl)piperazine?
The canonical SMILES for 2-butan-2-yl-5,5-diethyl-1-(3-methoxy-3-methylbutyl)piperazine is CCC(C)C1CNC(CC)(CC)CN1CCC(C)(C)OC.
What is the InChIKey of 2-butan-2-yl-5,5-diethyl-1-(3-methoxy-3-methylbutyl)piperazine?
The InChIKey is GPENIIDNRKOYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-8-15(4)16-13-19-18(9-2,10-3)14-20(16)12-11-17(5,6)21-7/h15-16,19H,8-14H2,1-7H3.
What are the key properties of 2-butan-2-yl-5,5-diethyl-1-(3-methoxy-3-methylbutyl)piperazine?
2-butan-2-yl-5,5-diethyl-1-(3-methoxy-3-methylbutyl)piperazine has a molecular weight of 298.51 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5,5-diethyl-1-(3-methoxy-3-methylbutyl)piperazine is sourced from PubChem (CID 103016623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).