methyl 4-methylpiperazine-2-carboxylate;dihydrochloride

C7H16Cl2N2O2 — CID 163355424

IUPACmethyl 4-methylpiperazine-2-carboxylate;dihydrochloride
SMILESCOC(=O)C1CN(C)CCN1.Cl.Cl
InChIInChI=1S/C7H14N2O2.2ClH/c1-9-4-3-8-6(5-9)7(10)11-2;;/h6,8H,3-5H2,1-2H3;2*1H
InChIKeyFANVJGCPKRIDIR-UHFFFAOYSA-N
MW231.12 g/mol
LogP-0.09
Rot. Bonds1

About methyl 4-methylpiperazine-2-carboxylate;dihydrochloride

methyl 4-methylpiperazine-2-carboxylate;dihydrochloride (PubChem CID 163355424) has the molecular formula C7H16Cl2N2O2 and a molecular weight of 231.12 g/mol. Its IUPAC name is methyl 4-methylpiperazine-2-carboxylate;dihydrochloride.

Molecular Properties

Compound Namemethyl 4-methylpiperazine-2-carboxylate;dihydrochloride
PubChem CID163355424
Molecular FormulaC7H16Cl2N2O2
Molecular Weight231.12 g/mol
Exact Mass230.06
IUPAC Namemethyl 4-methylpiperazine-2-carboxylate;dihydrochloride
SMILESCOC(=O)C1CN(C)CCN1.Cl.Cl
InChIInChI=1S/C7H14N2O2.2ClH/c1-9-4-3-8-6(5-9)7(10)11-2;;/h6,8H,3-5H2,1-2H3;2*1H
InChIKeyFANVJGCPKRIDIR-UHFFFAOYSA-N
XLogP-0.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methylpiperazine-2-carboxylate;dihydrochloride?
The IUPAC name of methyl 4-methylpiperazine-2-carboxylate;dihydrochloride (CID 163355424) is methyl 4-methylpiperazine-2-carboxylate;dihydrochloride.
What is the SMILES notation for methyl 4-methylpiperazine-2-carboxylate;dihydrochloride?
The canonical SMILES for methyl 4-methylpiperazine-2-carboxylate;dihydrochloride is COC(=O)C1CN(C)CCN1.Cl.Cl.
What is the InChIKey of methyl 4-methylpiperazine-2-carboxylate;dihydrochloride?
The InChIKey is FANVJGCPKRIDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.2ClH/c1-9-4-3-8-6(5-9)7(10)11-2;;/h6,8H,3-5H2,1-2H3;2*1H.
What are the key properties of methyl 4-methylpiperazine-2-carboxylate;dihydrochloride?
methyl 4-methylpiperazine-2-carboxylate;dihydrochloride has a molecular weight of 231.12 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methylpiperazine-2-carboxylate;dihydrochloride is sourced from PubChem (CID 163355424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).