(4-methylpiperazin-1-yl)methanimine;hydrochloride

C6H14ClN3 — CID 18951986

IUPAC(4-methylpiperazin-1-yl)methanimine;hydrochloride
SMILESCl.[H]/N=C/N1CCN(C)CC1
InChIInChI=1S/C6H13N3.ClH/c1-8-2-4-9(6-7)5-3-8;/h6-7H,2-5H2,1H3;1H/b7-6+;
InChIKeyXDFMWQRIDPQQSC-UHDJGPCESA-N
MW163.65 g/mol
LogP0.26
Rot. Bonds1

About (4-methylpiperazin-1-yl)methanimine;hydrochloride

(4-methylpiperazin-1-yl)methanimine;hydrochloride (PubChem CID 18951986) has the molecular formula C6H14ClN3 and a molecular weight of 163.65 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)methanimine;hydrochloride.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)methanimine;hydrochloride
PubChem CID18951986
Molecular FormulaC6H14ClN3
Molecular Weight163.65 g/mol
Exact Mass163.09
IUPAC Name(4-methylpiperazin-1-yl)methanimine;hydrochloride
SMILESCl.[H]/N=C/N1CCN(C)CC1
InChIInChI=1S/C6H13N3.ClH/c1-8-2-4-9(6-7)5-3-8;/h6-7H,2-5H2,1H3;1H/b7-6+;
InChIKeyXDFMWQRIDPQQSC-UHDJGPCESA-N
XLogP0.26
TPSA30.33 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 ≤ 50.26
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 (4-methylpiperazin-1-yl)methanimine;hydrochloride?
The IUPAC name of (4-methylpiperazin-1-yl)methanimine;hydrochloride (CID 18951986) is (4-methylpiperazin-1-yl)methanimine;hydrochloride.
What is the SMILES notation for (4-methylpiperazin-1-yl)methanimine;hydrochloride?
The canonical SMILES for (4-methylpiperazin-1-yl)methanimine;hydrochloride is Cl.[H]/N=C/N1CCN(C)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)methanimine;hydrochloride?
The InChIKey is XDFMWQRIDPQQSC-UHDJGPCESA-N. The full InChI is InChI=1S/C6H13N3.ClH/c1-8-2-4-9(6-7)5-3-8;/h6-7H,2-5H2,1H3;1H/b7-6+;.
What are the key properties of (4-methylpiperazin-1-yl)methanimine;hydrochloride?
(4-methylpiperazin-1-yl)methanimine;hydrochloride has a molecular weight of 163.65 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)methanimine;hydrochloride is sourced from PubChem (CID 18951986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).