(2R)-4-methylpiperazine-2-carboxylic acid;dihydrochloride

C6H14Cl2N2O2 — CID 171323322

IUPAC(2R)-4-methylpiperazine-2-carboxylic acid;dihydrochloride
SMILESCN1CCN[C@@H](C(=O)O)C1.Cl.Cl
InChIInChI=1S/C6H12N2O2.2ClH/c1-8-3-2-7-5(4-8)6(9)10;;/h5,7H,2-4H2,1H3,(H,9,10);2*1H/t5-;;/m1../s1
InChIKeyNXIVGAYIUBHNQC-ZJIMSODOSA-N
MW217.10 g/mol
LogP-0.18
Rot. Bonds1

About (2R)-4-methylpiperazine-2-carboxylic acid;dihydrochloride

(2R)-4-methylpiperazine-2-carboxylic acid;dihydrochloride (PubChem CID 171323322) has the molecular formula C6H14Cl2N2O2 and a molecular weight of 217.10 g/mol. Its IUPAC name is (2R)-4-methylpiperazine-2-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name(2R)-4-methylpiperazine-2-carboxylic acid;dihydrochloride
PubChem CID171323322
Molecular FormulaC6H14Cl2N2O2
Molecular Weight217.10 g/mol
Exact Mass216.04
IUPAC Name(2R)-4-methylpiperazine-2-carboxylic acid;dihydrochloride
SMILESCN1CCN[C@@H](C(=O)O)C1.Cl.Cl
InChIInChI=1S/C6H12N2O2.2ClH/c1-8-3-2-7-5(4-8)6(9)10;;/h5,7H,2-4H2,1H3,(H,9,10);2*1H/t5-;;/m1../s1
InChIKeyNXIVGAYIUBHNQC-ZJIMSODOSA-N
XLogP-0.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.10
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-methylpiperazine-2-carboxylic acid;dihydrochloride?
The IUPAC name of (2R)-4-methylpiperazine-2-carboxylic acid;dihydrochloride (CID 171323322) is (2R)-4-methylpiperazine-2-carboxylic acid;dihydrochloride.
What is the SMILES notation for (2R)-4-methylpiperazine-2-carboxylic acid;dihydrochloride?
The canonical SMILES for (2R)-4-methylpiperazine-2-carboxylic acid;dihydrochloride is CN1CCN[C@@H](C(=O)O)C1.Cl.Cl.
What is the InChIKey of (2R)-4-methylpiperazine-2-carboxylic acid;dihydrochloride?
The InChIKey is NXIVGAYIUBHNQC-ZJIMSODOSA-N. The full InChI is InChI=1S/C6H12N2O2.2ClH/c1-8-3-2-7-5(4-8)6(9)10;;/h5,7H,2-4H2,1H3,(H,9,10);2*1H/t5-;;/m1../s1.
What are the key properties of (2R)-4-methylpiperazine-2-carboxylic acid;dihydrochloride?
(2R)-4-methylpiperazine-2-carboxylic acid;dihydrochloride has a molecular weight of 217.10 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methylpiperazine-2-carboxylic acid;dihydrochloride is sourced from PubChem (CID 171323322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).