methyl 1-methylpiperazine-2-carboxylate

C7H14N2O2 — CID 18404484

IUPACmethyl 1-methylpiperazine-2-carboxylate
SMILESCOC(=O)C1CNCCN1C
InChIInChI=1S/C7H14N2O2/c1-9-4-3-8-5-6(9)7(10)11-2/h6,8H,3-5H2,1-2H3
InChIKeyXJZSEVGWLANZJK-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.94
Rot. Bonds1

About methyl 1-methylpiperazine-2-carboxylate

methyl 1-methylpiperazine-2-carboxylate (PubChem CID 18404484) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl 1-methylpiperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methylpiperazine-2-carboxylate
PubChem CID18404484
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Namemethyl 1-methylpiperazine-2-carboxylate
SMILESCOC(=O)C1CNCCN1C
InChIInChI=1S/C7H14N2O2/c1-9-4-3-8-5-6(9)7(10)11-2/h6,8H,3-5H2,1-2H3
InChIKeyXJZSEVGWLANZJK-UHFFFAOYSA-N
XLogP-0.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methylpiperazine-2-carboxylate?
The IUPAC name of methyl 1-methylpiperazine-2-carboxylate (CID 18404484) is methyl 1-methylpiperazine-2-carboxylate.
What is the SMILES notation for methyl 1-methylpiperazine-2-carboxylate?
The canonical SMILES for methyl 1-methylpiperazine-2-carboxylate is COC(=O)C1CNCCN1C.
What is the InChIKey of methyl 1-methylpiperazine-2-carboxylate?
The InChIKey is XJZSEVGWLANZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-9-4-3-8-5-6(9)7(10)11-2/h6,8H,3-5H2,1-2H3.
What are the key properties of methyl 1-methylpiperazine-2-carboxylate?
methyl 1-methylpiperazine-2-carboxylate has a molecular weight of 158.20 g/mol, XLogP of -0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methylpiperazine-2-carboxylate is sourced from PubChem (CID 18404484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).