1-tert-butyl-2-propan-2-ylidenepiperazine

C11H22N2 — CID 138577799

IUPAC1-tert-butyl-2-propan-2-ylidenepiperazine
SMILESCC(C)=C1CNCCN1C(C)(C)C
InChIInChI=1S/C11H22N2/c1-9(2)10-8-12-6-7-13(10)11(3,4)5/h12H,6-8H2,1-5H3
InChIKeyRRHTUWGXEHJXFO-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.98
Rot. Bonds

About 1-tert-butyl-2-propan-2-ylidenepiperazine

1-tert-butyl-2-propan-2-ylidenepiperazine (PubChem CID 138577799) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-tert-butyl-2-propan-2-ylidenepiperazine.

Molecular Properties

Compound Name1-tert-butyl-2-propan-2-ylidenepiperazine
PubChem CID138577799
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-tert-butyl-2-propan-2-ylidenepiperazine
SMILESCC(C)=C1CNCCN1C(C)(C)C
InChIInChI=1S/C11H22N2/c1-9(2)10-8-12-6-7-13(10)11(3,4)5/h12H,6-8H2,1-5H3
InChIKeyRRHTUWGXEHJXFO-UHFFFAOYSA-N
XLogP1.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-2-propan-2-ylidenepiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-propan-2-ylidenepiperazine?
The IUPAC name of 1-tert-butyl-2-propan-2-ylidenepiperazine (CID 138577799) is 1-tert-butyl-2-propan-2-ylidenepiperazine.
What is the SMILES notation for 1-tert-butyl-2-propan-2-ylidenepiperazine?
The canonical SMILES for 1-tert-butyl-2-propan-2-ylidenepiperazine is CC(C)=C1CNCCN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-propan-2-ylidenepiperazine?
The InChIKey is RRHTUWGXEHJXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(2)10-8-12-6-7-13(10)11(3,4)5/h12H,6-8H2,1-5H3.
What are the key properties of 1-tert-butyl-2-propan-2-ylidenepiperazine?
1-tert-butyl-2-propan-2-ylidenepiperazine has a molecular weight of 182.31 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-propan-2-ylidenepiperazine is sourced from PubChem (CID 138577799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).