methyl 2-tert-butyl-2-methylpiperazine-1-carboxylate

C11H22N2O2 — CID 175400977

IUPACmethyl 2-tert-butyl-2-methylpiperazine-1-carboxylate
SMILESCOC(=O)N1CCNCC1(C)C(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-10(2,3)11(4)8-12-6-7-13(11)9(14)15-5/h12H,6-8H2,1-5H3
InChIKeyFQIWJHKJIKGVQQ-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.46
Rot. Bonds

About methyl 2-tert-butyl-2-methylpiperazine-1-carboxylate

methyl 2-tert-butyl-2-methylpiperazine-1-carboxylate (PubChem CID 175400977) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 2-tert-butyl-2-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-tert-butyl-2-methylpiperazine-1-carboxylate
PubChem CID175400977
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 2-tert-butyl-2-methylpiperazine-1-carboxylate
SMILESCOC(=O)N1CCNCC1(C)C(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-10(2,3)11(4)8-12-6-7-13(11)9(14)15-5/h12H,6-8H2,1-5H3
InChIKeyFQIWJHKJIKGVQQ-UHFFFAOYSA-N
XLogP1.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-tert-butyl-2-methylpiperazine-1-carboxylate?
The IUPAC name of methyl 2-tert-butyl-2-methylpiperazine-1-carboxylate (CID 175400977) is methyl 2-tert-butyl-2-methylpiperazine-1-carboxylate.
What is the SMILES notation for methyl 2-tert-butyl-2-methylpiperazine-1-carboxylate?
The canonical SMILES for methyl 2-tert-butyl-2-methylpiperazine-1-carboxylate is COC(=O)N1CCNCC1(C)C(C)(C)C.
What is the InChIKey of methyl 2-tert-butyl-2-methylpiperazine-1-carboxylate?
The InChIKey is FQIWJHKJIKGVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2,3)11(4)8-12-6-7-13(11)9(14)15-5/h12H,6-8H2,1-5H3.
What are the key properties of methyl 2-tert-butyl-2-methylpiperazine-1-carboxylate?
methyl 2-tert-butyl-2-methylpiperazine-1-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-tert-butyl-2-methylpiperazine-1-carboxylate is sourced from PubChem (CID 175400977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).