5-tert-butyl-2-methyl-1-propan-2-ylpiperazine

C12H26N2 — CID 64841228

IUPAC5-tert-butyl-2-methyl-1-propan-2-ylpiperazine
SMILESCC(C)N1CC(C(C)(C)C)NCC1C
InChIInChI=1S/C12H26N2/c1-9(2)14-8-11(12(4,5)6)13-7-10(14)3/h9-11,13H,7-8H2,1-6H3
InChIKeyOLCKSNRGIQKVKL-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.10
Rot. Bonds1

About 5-tert-butyl-2-methyl-1-propan-2-ylpiperazine

5-tert-butyl-2-methyl-1-propan-2-ylpiperazine (PubChem CID 64841228) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 5-tert-butyl-2-methyl-1-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-2-methyl-1-propan-2-ylpiperazine
PubChem CID64841228
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name5-tert-butyl-2-methyl-1-propan-2-ylpiperazine
SMILESCC(C)N1CC(C(C)(C)C)NCC1C
InChIInChI=1S/C12H26N2/c1-9(2)14-8-11(12(4,5)6)13-7-10(14)3/h9-11,13H,7-8H2,1-6H3
InChIKeyOLCKSNRGIQKVKL-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-tert-butyl-2-methyl-1-propan-2-ylpiperazine 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 5-tert-butyl-2-methyl-1-propan-2-ylpiperazine?
The IUPAC name of 5-tert-butyl-2-methyl-1-propan-2-ylpiperazine (CID 64841228) is 5-tert-butyl-2-methyl-1-propan-2-ylpiperazine.
What is the SMILES notation for 5-tert-butyl-2-methyl-1-propan-2-ylpiperazine?
The canonical SMILES for 5-tert-butyl-2-methyl-1-propan-2-ylpiperazine is CC(C)N1CC(C(C)(C)C)NCC1C.
What is the InChIKey of 5-tert-butyl-2-methyl-1-propan-2-ylpiperazine?
The InChIKey is OLCKSNRGIQKVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-9(2)14-8-11(12(4,5)6)13-7-10(14)3/h9-11,13H,7-8H2,1-6H3.
What are the key properties of 5-tert-butyl-2-methyl-1-propan-2-ylpiperazine?
5-tert-butyl-2-methyl-1-propan-2-ylpiperazine has a molecular weight of 198.35 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methyl-1-propan-2-ylpiperazine is sourced from PubChem (CID 64841228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).