methyl (2S)-1-methylpiperazine-2-carboxylate;dihydrochloride

C7H16Cl2N2O2 — CID 167735941

IUPACmethyl (2S)-1-methylpiperazine-2-carboxylate;dihydrochloride
SMILESCOC(=O)[C@@H]1CNCCN1C.Cl.Cl
InChIInChI=1S/C7H14N2O2.2ClH/c1-9-4-3-8-5-6(9)7(10)11-2;;/h6,8H,3-5H2,1-2H3;2*1H/t6-;;/m0../s1
InChIKeyYRQDVVYCFCIASQ-ILKKLZGPSA-N
MW231.12 g/mol
LogP-0.09
Rot. Bonds1

About methyl (2S)-1-methylpiperazine-2-carboxylate;dihydrochloride

methyl (2S)-1-methylpiperazine-2-carboxylate;dihydrochloride (PubChem CID 167735941) has the molecular formula C7H16Cl2N2O2 and a molecular weight of 231.12 g/mol. Its IUPAC name is methyl (2S)-1-methylpiperazine-2-carboxylate;dihydrochloride.

Molecular Properties

Compound Namemethyl (2S)-1-methylpiperazine-2-carboxylate;dihydrochloride
PubChem CID167735941
Molecular FormulaC7H16Cl2N2O2
Molecular Weight231.12 g/mol
Exact Mass230.06
IUPAC Namemethyl (2S)-1-methylpiperazine-2-carboxylate;dihydrochloride
SMILESCOC(=O)[C@@H]1CNCCN1C.Cl.Cl
InChIInChI=1S/C7H14N2O2.2ClH/c1-9-4-3-8-5-6(9)7(10)11-2;;/h6,8H,3-5H2,1-2H3;2*1H/t6-;;/m0../s1
InChIKeyYRQDVVYCFCIASQ-ILKKLZGPSA-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

Analyze methyl (2S)-1-methylpiperazine-2-carboxylate;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-methylpiperazine-2-carboxylate;dihydrochloride?
The IUPAC name of methyl (2S)-1-methylpiperazine-2-carboxylate;dihydrochloride (CID 167735941) is methyl (2S)-1-methylpiperazine-2-carboxylate;dihydrochloride.
What is the SMILES notation for methyl (2S)-1-methylpiperazine-2-carboxylate;dihydrochloride?
The canonical SMILES for methyl (2S)-1-methylpiperazine-2-carboxylate;dihydrochloride is COC(=O)[C@@H]1CNCCN1C.Cl.Cl.
What is the InChIKey of methyl (2S)-1-methylpiperazine-2-carboxylate;dihydrochloride?
The InChIKey is YRQDVVYCFCIASQ-ILKKLZGPSA-N. The full InChI is InChI=1S/C7H14N2O2.2ClH/c1-9-4-3-8-5-6(9)7(10)11-2;;/h6,8H,3-5H2,1-2H3;2*1H/t6-;;/m0../s1.
What are the key properties of methyl (2S)-1-methylpiperazine-2-carboxylate;dihydrochloride?
methyl (2S)-1-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 (2S)-1-methylpiperazine-2-carboxylate;dihydrochloride is sourced from PubChem (CID 167735941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).