4-methylpiperazin-1-amine;hydrochloride

C5H14ClN3 — CID 19907612

IUPAC4-methylpiperazin-1-amine;hydrochloride
SMILESCN1CCN(N)CC1.Cl
InChIInChI=1S/C5H13N3.ClH/c1-7-2-4-8(6)5-3-7;/h2-6H2,1H3;1H
InChIKeyREWGFYXAHKAUBT-UHFFFAOYSA-N
MW151.64 g/mol
LogP-0.47
Rot. Bonds

About 4-methylpiperazin-1-amine;hydrochloride

4-methylpiperazin-1-amine;hydrochloride (PubChem CID 19907612) has the molecular formula C5H14ClN3 and a molecular weight of 151.64 g/mol. Its IUPAC name is 4-methylpiperazin-1-amine;hydrochloride.

Molecular Properties

Compound Name4-methylpiperazin-1-amine;hydrochloride
PubChem CID19907612
Molecular FormulaC5H14ClN3
Molecular Weight151.64 g/mol
Exact Mass151.09
IUPAC Name4-methylpiperazin-1-amine;hydrochloride
SMILESCN1CCN(N)CC1.Cl
InChIInChI=1S/C5H13N3.ClH/c1-7-2-4-8(6)5-3-7;/h2-6H2,1H3;1H
InChIKeyREWGFYXAHKAUBT-UHFFFAOYSA-N
XLogP-0.47
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylpiperazin-1-amine;hydrochloride?
The IUPAC name of 4-methylpiperazin-1-amine;hydrochloride (CID 19907612) is 4-methylpiperazin-1-amine;hydrochloride.
What is the SMILES notation for 4-methylpiperazin-1-amine;hydrochloride?
The canonical SMILES for 4-methylpiperazin-1-amine;hydrochloride is CN1CCN(N)CC1.Cl.
What is the InChIKey of 4-methylpiperazin-1-amine;hydrochloride?
The InChIKey is REWGFYXAHKAUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3.ClH/c1-7-2-4-8(6)5-3-7;/h2-6H2,1H3;1H.
What are the key properties of 4-methylpiperazin-1-amine;hydrochloride?
4-methylpiperazin-1-amine;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of -0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpiperazin-1-amine;hydrochloride is sourced from PubChem (CID 19907612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).