1-methylpiperazine-2-carboxylic acid;dihydrochloride

C6H14Cl2N2O2 — CID 75531238

IUPAC1-methylpiperazine-2-carboxylic acid;dihydrochloride
SMILESCN1CCNCC1C(=O)O.Cl.Cl
InChIInChI=1S/C6H12N2O2.2ClH/c1-8-3-2-7-4-5(8)6(9)10;;/h5,7H,2-4H2,1H3,(H,9,10);2*1H
InChIKeyDSADJSWCEFUWHA-UHFFFAOYSA-N
MW217.10 g/mol
LogP-0.18
Rot. Bonds1

About 1-methylpiperazine-2-carboxylic acid;dihydrochloride

1-methylpiperazine-2-carboxylic acid;dihydrochloride (PubChem CID 75531238) has the molecular formula C6H14Cl2N2O2 and a molecular weight of 217.10 g/mol. Its IUPAC name is 1-methylpiperazine-2-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name1-methylpiperazine-2-carboxylic acid;dihydrochloride
PubChem CID75531238
Molecular FormulaC6H14Cl2N2O2
Molecular Weight217.10 g/mol
Exact Mass216.04
IUPAC Name1-methylpiperazine-2-carboxylic acid;dihydrochloride
SMILESCN1CCNCC1C(=O)O.Cl.Cl
InChIInChI=1S/C6H12N2O2.2ClH/c1-8-3-2-7-4-5(8)6(9)10;;/h5,7H,2-4H2,1H3,(H,9,10);2*1H
InChIKeyDSADJSWCEFUWHA-UHFFFAOYSA-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 1-methylpiperazine-2-carboxylic acid;dihydrochloride?
The IUPAC name of 1-methylpiperazine-2-carboxylic acid;dihydrochloride (CID 75531238) is 1-methylpiperazine-2-carboxylic acid;dihydrochloride.
What is the SMILES notation for 1-methylpiperazine-2-carboxylic acid;dihydrochloride?
The canonical SMILES for 1-methylpiperazine-2-carboxylic acid;dihydrochloride is CN1CCNCC1C(=O)O.Cl.Cl.
What is the InChIKey of 1-methylpiperazine-2-carboxylic acid;dihydrochloride?
The InChIKey is DSADJSWCEFUWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.2ClH/c1-8-3-2-7-4-5(8)6(9)10;;/h5,7H,2-4H2,1H3,(H,9,10);2*1H.
What are the key properties of 1-methylpiperazine-2-carboxylic acid;dihydrochloride?
1-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 1-methylpiperazine-2-carboxylic acid;dihydrochloride is sourced from PubChem (CID 75531238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).