3-tert-butyl-1-methylpiperazine

C9H20N2 — CID 45099455

IUPAC3-tert-butyl-1-methylpiperazine
SMILESCN1CCNC(C(C)(C)C)C1
InChIInChI=1S/C9H20N2/c1-9(2,3)8-7-11(4)6-5-10-8/h8,10H,5-7H2,1-4H3
InChIKeyJUYGOAGUPDFXFA-UHFFFAOYSA-N
MW156.27 g/mol
LogP0.94
Rot. Bonds

About 3-tert-butyl-1-methylpiperazine

3-tert-butyl-1-methylpiperazine (PubChem CID 45099455) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-tert-butyl-1-methylpiperazine.

Molecular Properties

Compound Name3-tert-butyl-1-methylpiperazine
PubChem CID45099455
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name3-tert-butyl-1-methylpiperazine
SMILESCN1CCNC(C(C)(C)C)C1
InChIInChI=1S/C9H20N2/c1-9(2,3)8-7-11(4)6-5-10-8/h8,10H,5-7H2,1-4H3
InChIKeyJUYGOAGUPDFXFA-UHFFFAOYSA-N
XLogP0.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 50.94
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-methylpiperazine?
The IUPAC name of 3-tert-butyl-1-methylpiperazine (CID 45099455) is 3-tert-butyl-1-methylpiperazine.
What is the SMILES notation for 3-tert-butyl-1-methylpiperazine?
The canonical SMILES for 3-tert-butyl-1-methylpiperazine is CN1CCNC(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-1-methylpiperazine?
The InChIKey is JUYGOAGUPDFXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-9(2,3)8-7-11(4)6-5-10-8/h8,10H,5-7H2,1-4H3.
What are the key properties of 3-tert-butyl-1-methylpiperazine?
3-tert-butyl-1-methylpiperazine has a molecular weight of 156.27 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methylpiperazine is sourced from PubChem (CID 45099455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).