2-tert-butyl-1,4-dimethylpiperazine

C10H22N2 — CID 116856377

IUPAC2-tert-butyl-1,4-dimethylpiperazine
SMILESCN1CCN(C)C(C(C)(C)C)C1
InChIInChI=1S/C10H22N2/c1-10(2,3)9-8-11(4)6-7-12(9)5/h9H,6-8H2,1-5H3
InChIKeyGQGBPZOCAFZMJE-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.28
Rot. Bonds

About 2-tert-butyl-1,4-dimethylpiperazine

2-tert-butyl-1,4-dimethylpiperazine (PubChem CID 116856377) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-tert-butyl-1,4-dimethylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-1,4-dimethylpiperazine
PubChem CID116856377
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name2-tert-butyl-1,4-dimethylpiperazine
SMILESCN1CCN(C)C(C(C)(C)C)C1
InChIInChI=1S/C10H22N2/c1-10(2,3)9-8-11(4)6-7-12(9)5/h9H,6-8H2,1-5H3
InChIKeyGQGBPZOCAFZMJE-UHFFFAOYSA-N
XLogP1.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,4-dimethylpiperazine?
The IUPAC name of 2-tert-butyl-1,4-dimethylpiperazine (CID 116856377) is 2-tert-butyl-1,4-dimethylpiperazine.
What is the SMILES notation for 2-tert-butyl-1,4-dimethylpiperazine?
The canonical SMILES for 2-tert-butyl-1,4-dimethylpiperazine is CN1CCN(C)C(C(C)(C)C)C1.
What is the InChIKey of 2-tert-butyl-1,4-dimethylpiperazine?
The InChIKey is GQGBPZOCAFZMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-10(2,3)9-8-11(4)6-7-12(9)5/h9H,6-8H2,1-5H3.
What are the key properties of 2-tert-butyl-1,4-dimethylpiperazine?
2-tert-butyl-1,4-dimethylpiperazine has a molecular weight of 170.30 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,4-dimethylpiperazine is sourced from PubChem (CID 116856377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).