3-tert-butyl-1-(2-methylpropyl)piperazine

C12H26N2 — CID 64833220

IUPAC3-tert-butyl-1-(2-methylpropyl)piperazine
SMILESCC(C)CN1CCNC(C(C)(C)C)C1
InChIInChI=1S/C12H26N2/c1-10(2)8-14-7-6-13-11(9-14)12(3,4)5/h10-11,13H,6-9H2,1-5H3
InChIKeyATGFQFDGRHQABH-UHFFFAOYSA-N
MW198.35 g/mol
LogP1.96
Rot. Bonds2

About 3-tert-butyl-1-(2-methylpropyl)piperazine

3-tert-butyl-1-(2-methylpropyl)piperazine (PubChem CID 64833220) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 3-tert-butyl-1-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name3-tert-butyl-1-(2-methylpropyl)piperazine
PubChem CID64833220
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name3-tert-butyl-1-(2-methylpropyl)piperazine
SMILESCC(C)CN1CCNC(C(C)(C)C)C1
InChIInChI=1S/C12H26N2/c1-10(2)8-14-7-6-13-11(9-14)12(3,4)5/h10-11,13H,6-9H2,1-5H3
InChIKeyATGFQFDGRHQABH-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2-methylpropyl)piperazine?
The IUPAC name of 3-tert-butyl-1-(2-methylpropyl)piperazine (CID 64833220) is 3-tert-butyl-1-(2-methylpropyl)piperazine.
What is the SMILES notation for 3-tert-butyl-1-(2-methylpropyl)piperazine?
The canonical SMILES for 3-tert-butyl-1-(2-methylpropyl)piperazine is CC(C)CN1CCNC(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-1-(2-methylpropyl)piperazine?
The InChIKey is ATGFQFDGRHQABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(2)8-14-7-6-13-11(9-14)12(3,4)5/h10-11,13H,6-9H2,1-5H3.
What are the key properties of 3-tert-butyl-1-(2-methylpropyl)piperazine?
3-tert-butyl-1-(2-methylpropyl)piperazine has a molecular weight of 198.35 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2-methylpropyl)piperazine is sourced from PubChem (CID 64833220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).