5-tert-butyl-2,2-dimethyl-1-(2-methylbutyl)piperazine

C15H32N2 — CID 64842629

IUPAC5-tert-butyl-2,2-dimethyl-1-(2-methylbutyl)piperazine
SMILESCCC(C)CN1CC(C(C)(C)C)NCC1(C)C
InChIInChI=1S/C15H32N2/c1-8-12(2)9-17-10-13(14(3,4)5)16-11-15(17,6)7/h12-13,16H,8-11H2,1-7H3
InChIKeyQVQTUOSOGHJSOP-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.13
Rot. Bonds3

About 5-tert-butyl-2,2-dimethyl-1-(2-methylbutyl)piperazine

5-tert-butyl-2,2-dimethyl-1-(2-methylbutyl)piperazine (PubChem CID 64842629) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 5-tert-butyl-2,2-dimethyl-1-(2-methylbutyl)piperazine.

Molecular Properties

Compound Name5-tert-butyl-2,2-dimethyl-1-(2-methylbutyl)piperazine
PubChem CID64842629
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name5-tert-butyl-2,2-dimethyl-1-(2-methylbutyl)piperazine
SMILESCCC(C)CN1CC(C(C)(C)C)NCC1(C)C
InChIInChI=1S/C15H32N2/c1-8-12(2)9-17-10-13(14(3,4)5)16-11-15(17,6)7/h12-13,16H,8-11H2,1-7H3
InChIKeyQVQTUOSOGHJSOP-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,2-dimethyl-1-(2-methylbutyl)piperazine?
The IUPAC name of 5-tert-butyl-2,2-dimethyl-1-(2-methylbutyl)piperazine (CID 64842629) is 5-tert-butyl-2,2-dimethyl-1-(2-methylbutyl)piperazine.
What is the SMILES notation for 5-tert-butyl-2,2-dimethyl-1-(2-methylbutyl)piperazine?
The canonical SMILES for 5-tert-butyl-2,2-dimethyl-1-(2-methylbutyl)piperazine is CCC(C)CN1CC(C(C)(C)C)NCC1(C)C.
What is the InChIKey of 5-tert-butyl-2,2-dimethyl-1-(2-methylbutyl)piperazine?
The InChIKey is QVQTUOSOGHJSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-8-12(2)9-17-10-13(14(3,4)5)16-11-15(17,6)7/h12-13,16H,8-11H2,1-7H3.
What are the key properties of 5-tert-butyl-2,2-dimethyl-1-(2-methylbutyl)piperazine?
5-tert-butyl-2,2-dimethyl-1-(2-methylbutyl)piperazine has a molecular weight of 240.43 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,2-dimethyl-1-(2-methylbutyl)piperazine is sourced from PubChem (CID 64842629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).