2-tert-butyl-1-methyl-4-propan-2-ylpiperazine

C12H26N2 — CID 137482015

IUPAC2-tert-butyl-1-methyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C)C(C(C)(C)C)C1
InChIInChI=1S/C12H26N2/c1-10(2)14-8-7-13(6)11(9-14)12(3,4)5/h10-11H,7-9H2,1-6H3
InChIKeyLQOPNSCIJRRQPR-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.06
Rot. Bonds1

About 2-tert-butyl-1-methyl-4-propan-2-ylpiperazine

2-tert-butyl-1-methyl-4-propan-2-ylpiperazine (PubChem CID 137482015) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-tert-butyl-1-methyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-1-methyl-4-propan-2-ylpiperazine
PubChem CID137482015
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-tert-butyl-1-methyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C)C(C(C)(C)C)C1
InChIInChI=1S/C12H26N2/c1-10(2)14-8-7-13(6)11(9-14)12(3,4)5/h10-11H,7-9H2,1-6H3
InChIKeyLQOPNSCIJRRQPR-UHFFFAOYSA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.06
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-methyl-4-propan-2-ylpiperazine?
The IUPAC name of 2-tert-butyl-1-methyl-4-propan-2-ylpiperazine (CID 137482015) is 2-tert-butyl-1-methyl-4-propan-2-ylpiperazine.
What is the SMILES notation for 2-tert-butyl-1-methyl-4-propan-2-ylpiperazine?
The canonical SMILES for 2-tert-butyl-1-methyl-4-propan-2-ylpiperazine is CC(C)N1CCN(C)C(C(C)(C)C)C1.
What is the InChIKey of 2-tert-butyl-1-methyl-4-propan-2-ylpiperazine?
The InChIKey is LQOPNSCIJRRQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(2)14-8-7-13(6)11(9-14)12(3,4)5/h10-11H,7-9H2,1-6H3.
What are the key properties of 2-tert-butyl-1-methyl-4-propan-2-ylpiperazine?
2-tert-butyl-1-methyl-4-propan-2-ylpiperazine has a molecular weight of 198.35 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 137482015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).