1-methylpiperazine;dihydrochloride

C5H14Cl2N2 — CID 2734715

IUPAC1-methylpiperazine;dihydrochloride
SMILESCN1CCNCC1.Cl.Cl
InChIInChI=1S/C5H12N2.2ClH/c1-7-4-2-6-3-5-7;;/h6H,2-5H2,1H3;2*1H
InChIKeyAILFRWRYZZVJTL-UHFFFAOYSA-N
MW173.09 g/mol
LogP0.37
Rot. Bonds

About 1-methylpiperazine;dihydrochloride

1-methylpiperazine;dihydrochloride (PubChem CID 2734715) has the molecular formula C5H14Cl2N2 and a molecular weight of 173.09 g/mol. Its IUPAC name is 1-methylpiperazine;dihydrochloride.

Molecular Properties

Compound Name1-methylpiperazine;dihydrochloride
PubChem CID2734715
Molecular FormulaC5H14Cl2N2
Molecular Weight173.09 g/mol
Exact Mass172.05
IUPAC Name1-methylpiperazine;dihydrochloride
SMILESCN1CCNCC1.Cl.Cl
InChIInChI=1S/C5H12N2.2ClH/c1-7-4-2-6-3-5-7;;/h6H,2-5H2,1H3;2*1H
InChIKeyAILFRWRYZZVJTL-UHFFFAOYSA-N
XLogP0.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.09
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4,7,10-tetramethyl-1,4,7,10,13-pentazacyclopentadecane
CID 13461315
1-methyl-1,4,7,10,13-pentazacyclopentadecane
CID 18705592
alumane;1-methylpiperazine
CID 173336720
ethane;1-methylpiperazine
CID 91350928
1-methylpiperazine;hydrate
CID 23128681
cyclopropane;1-methylpiperazine
CID 166166790
potassium;hydride;1-methylpiperazine
CID 174652278
ethane;methane;1-methylpiperazine
CID 142051303
manganese(2+);bis(1-methyl-1,4,7,10,13-pentazacyclopentadecane);dichloride
CID 67603621
7-methyl-1,4,7,10,13-pentazabicyclo[11.2.2]heptadecane
CID 58730173
4,7-dimethyl-1,4,7,10-tetrazacyclotridecane
CID 152746949
1-methylpiperazine;bis(piperidine);pyrrolidine
CID 164970111

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperazine;dihydrochloride?
The IUPAC name of 1-methylpiperazine;dihydrochloride (CID 2734715) is 1-methylpiperazine;dihydrochloride.
What is the SMILES notation for 1-methylpiperazine;dihydrochloride?
The canonical SMILES for 1-methylpiperazine;dihydrochloride is CN1CCNCC1.Cl.Cl.
What is the InChIKey of 1-methylpiperazine;dihydrochloride?
The InChIKey is AILFRWRYZZVJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.2ClH/c1-7-4-2-6-3-5-7;;/h6H,2-5H2,1H3;2*1H.
What are the key properties of 1-methylpiperazine;dihydrochloride?
1-methylpiperazine;dihydrochloride has a molecular weight of 173.09 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperazine;dihydrochloride is sourced from PubChem (CID 2734715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).