N-methyl-1-piperazin-1-ylmethanimine;hydrochloride

C6H14ClN3 — CID 67842462

IUPACN-methyl-1-piperazin-1-ylmethanimine;hydrochloride
SMILESC/N=C/N1CCNCC1.Cl
InChIInChI=1S/C6H13N3.ClH/c1-7-6-9-4-2-8-3-5-9;/h6,8H,2-5H2,1H3;1H/b7-6+;
InChIKeyRTWJZQLSRTUVHU-UHDJGPCESA-N
MW163.65 g/mol
LogP-0.03
Rot. Bonds1

About N-methyl-1-piperazin-1-ylmethanimine;hydrochloride

N-methyl-1-piperazin-1-ylmethanimine;hydrochloride (PubChem CID 67842462) has the molecular formula C6H14ClN3 and a molecular weight of 163.65 g/mol. Its IUPAC name is N-methyl-1-piperazin-1-ylmethanimine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-piperazin-1-ylmethanimine;hydrochloride
PubChem CID67842462
Molecular FormulaC6H14ClN3
Molecular Weight163.65 g/mol
Exact Mass163.09
IUPAC NameN-methyl-1-piperazin-1-ylmethanimine;hydrochloride
SMILESC/N=C/N1CCNCC1.Cl
InChIInChI=1S/C6H13N3.ClH/c1-7-6-9-4-2-8-3-5-9;/h6,8H,2-5H2,1H3;1H/b7-6+;
InChIKeyRTWJZQLSRTUVHU-UHDJGPCESA-N
XLogP-0.03
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-piperazin-1-ylmethanimine;hydrochloride?
The IUPAC name of N-methyl-1-piperazin-1-ylmethanimine;hydrochloride (CID 67842462) is N-methyl-1-piperazin-1-ylmethanimine;hydrochloride.
What is the SMILES notation for N-methyl-1-piperazin-1-ylmethanimine;hydrochloride?
The canonical SMILES for N-methyl-1-piperazin-1-ylmethanimine;hydrochloride is C/N=C/N1CCNCC1.Cl.
What is the InChIKey of N-methyl-1-piperazin-1-ylmethanimine;hydrochloride?
The InChIKey is RTWJZQLSRTUVHU-UHDJGPCESA-N. The full InChI is InChI=1S/C6H13N3.ClH/c1-7-6-9-4-2-8-3-5-9;/h6,8H,2-5H2,1H3;1H/b7-6+;.
What are the key properties of N-methyl-1-piperazin-1-ylmethanimine;hydrochloride?
N-methyl-1-piperazin-1-ylmethanimine;hydrochloride has a molecular weight of 163.65 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-piperazin-1-ylmethanimine;hydrochloride is sourced from PubChem (CID 67842462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).