2-tert-butyl-1-methylpiperazine;dihydrochloride

C9H22Cl2N2 — CID 122156679

IUPAC2-tert-butyl-1-methylpiperazine;dihydrochloride
SMILESCN1CCNCC1C(C)(C)C.Cl.Cl
InChIInChI=1S/C9H20N2.2ClH/c1-9(2,3)8-7-10-5-6-11(8)4;;/h8,10H,5-7H2,1-4H3;2*1H
InChIKeyLMNYTZMEPMWJCI-UHFFFAOYSA-N
MW229.19 g/mol
LogP1.78
Rot. Bonds

About 2-tert-butyl-1-methylpiperazine;dihydrochloride

2-tert-butyl-1-methylpiperazine;dihydrochloride (PubChem CID 122156679) has the molecular formula C9H22Cl2N2 and a molecular weight of 229.19 g/mol. Its IUPAC name is 2-tert-butyl-1-methylpiperazine;dihydrochloride.

Molecular Properties

Compound Name2-tert-butyl-1-methylpiperazine;dihydrochloride
PubChem CID122156679
Molecular FormulaC9H22Cl2N2
Molecular Weight229.19 g/mol
Exact Mass228.12
IUPAC Name2-tert-butyl-1-methylpiperazine;dihydrochloride
SMILESCN1CCNCC1C(C)(C)C.Cl.Cl
InChIInChI=1S/C9H20N2.2ClH/c1-9(2,3)8-7-10-5-6-11(8)4;;/h8,10H,5-7H2,1-4H3;2*1H
InChIKeyLMNYTZMEPMWJCI-UHFFFAOYSA-N
XLogP1.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-methylpiperazine;dihydrochloride?
The IUPAC name of 2-tert-butyl-1-methylpiperazine;dihydrochloride (CID 122156679) is 2-tert-butyl-1-methylpiperazine;dihydrochloride.
What is the SMILES notation for 2-tert-butyl-1-methylpiperazine;dihydrochloride?
The canonical SMILES for 2-tert-butyl-1-methylpiperazine;dihydrochloride is CN1CCNCC1C(C)(C)C.Cl.Cl.
What is the InChIKey of 2-tert-butyl-1-methylpiperazine;dihydrochloride?
The InChIKey is LMNYTZMEPMWJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.2ClH/c1-9(2,3)8-7-10-5-6-11(8)4;;/h8,10H,5-7H2,1-4H3;2*1H.
What are the key properties of 2-tert-butyl-1-methylpiperazine;dihydrochloride?
2-tert-butyl-1-methylpiperazine;dihydrochloride has a molecular weight of 229.19 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methylpiperazine;dihydrochloride is sourced from PubChem (CID 122156679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).