1-methylpiperazin-1-ium-1-amine;chloride;hydrochloride

C5H15Cl2N3 — CID 19009662

IUPAC1-methylpiperazin-1-ium-1-amine;chloride;hydrochloride
SMILESC[N+]1(N)CCNCC1.Cl.[Cl-]
InChIInChI=1S/C5H14N3.2ClH/c1-8(6)4-2-7-3-5-8;;/h7H,2-6H2,1H3;2*1H/q+1;;/p-1
InChIKeyUTDVVPUQGARJEI-UHFFFAOYSA-M
MW188.10 g/mol
LogP-3.66
Rot. Bonds

About 1-methylpiperazin-1-ium-1-amine;chloride;hydrochloride

1-methylpiperazin-1-ium-1-amine;chloride;hydrochloride (PubChem CID 19009662) has the molecular formula C5H15Cl2N3 and a molecular weight of 188.10 g/mol. Its IUPAC name is 1-methylpiperazin-1-ium-1-amine;chloride;hydrochloride.

Molecular Properties

Compound Name1-methylpiperazin-1-ium-1-amine;chloride;hydrochloride
PubChem CID19009662
Molecular FormulaC5H15Cl2N3
Molecular Weight188.10 g/mol
Exact Mass187.06
IUPAC Name1-methylpiperazin-1-ium-1-amine;chloride;hydrochloride
SMILESC[N+]1(N)CCNCC1.Cl.[Cl-]
InChIInChI=1S/C5H14N3.2ClH/c1-8(6)4-2-7-3-5-8;;/h7H,2-6H2,1H3;2*1H/q+1;;/p-1
InChIKeyUTDVVPUQGARJEI-UHFFFAOYSA-M
XLogP-3.66
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.10
LogP ≤ 5-3.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-1-methylpiperazin-1-ium
CID 89307990
(1-methylpiperazin-1-ium-1-yl)arsane
CID 173369166
1-methyl-1-oxidopiperazin-1-ium;dihydrate
CID 86734634
azanium;piperazine;chloride;dihydrochloride
CID 158242321
1,4,7-triazonane;pentahydrochloride
CID 75530446
1-(4-fluorophenyl)-1-methylpiperazin-1-ium chloride
CID 69099342
1-oxidoimidazolidin-1-ium-1-amine
CID 87731707
1-ethenyl-1-methylimidazolidin-1-ium chloride
CID 67140985
copper;1,4,7,10-tetrazacyclododecane;dichloride
CID 3045036
copper;piperazine;dihydrochloride
CID 173325981
1,4,7,10,13,16-hexazacyclooctadecane;hexahydrate;hydrochloride
CID 175059563
cobalt(3+);1,4,7,10,13,16-hexazacyclooctadecane;trichloride
CID 139063120

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperazin-1-ium-1-amine;chloride;hydrochloride?
The IUPAC name of 1-methylpiperazin-1-ium-1-amine;chloride;hydrochloride (CID 19009662) is 1-methylpiperazin-1-ium-1-amine;chloride;hydrochloride.
What is the SMILES notation for 1-methylpiperazin-1-ium-1-amine;chloride;hydrochloride?
The canonical SMILES for 1-methylpiperazin-1-ium-1-amine;chloride;hydrochloride is C[N+]1(N)CCNCC1.Cl.[Cl-].
What is the InChIKey of 1-methylpiperazin-1-ium-1-amine;chloride;hydrochloride?
The InChIKey is UTDVVPUQGARJEI-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H14N3.2ClH/c1-8(6)4-2-7-3-5-8;;/h7H,2-6H2,1H3;2*1H/q+1;;/p-1.
What are the key properties of 1-methylpiperazin-1-ium-1-amine;chloride;hydrochloride?
1-methylpiperazin-1-ium-1-amine;chloride;hydrochloride has a molecular weight of 188.10 g/mol, XLogP of -3.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperazin-1-ium-1-amine;chloride;hydrochloride is sourced from PubChem (CID 19009662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).