4-methylpiperazine-1-carboximidamide

C6H14N4 — CID 2760028

IUPAC4-methylpiperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCN(C)CC1
InChIInChI=1S/C6H14N4/c1-9-2-4-10(5-3-9)6(7)8/h2-5H2,1H3,(H3,7,8)
InChIKeyJJAQEBBJCVBCKC-UHFFFAOYSA-N
MW142.21 g/mol
LogP-0.87
Rot. Bonds

About 4-methylpiperazine-1-carboximidamide

4-methylpiperazine-1-carboximidamide (PubChem CID 2760028) has the molecular formula C6H14N4 and a molecular weight of 142.21 g/mol. Its IUPAC name is 4-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-methylpiperazine-1-carboximidamide
PubChem CID2760028
Molecular FormulaC6H14N4
Molecular Weight142.21 g/mol
Exact Mass142.12
IUPAC Name4-methylpiperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCN(C)CC1
InChIInChI=1S/C6H14N4/c1-9-2-4-10(5-3-9)6(7)8/h2-5H2,1H3,(H3,7,8)
InChIKeyJJAQEBBJCVBCKC-UHFFFAOYSA-N
XLogP-0.87
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.21
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
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-methylpiperazine-1-carboximidamide?
The IUPAC name of 4-methylpiperazine-1-carboximidamide (CID 2760028) is 4-methylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-methylpiperazine-1-carboximidamide?
The canonical SMILES for 4-methylpiperazine-1-carboximidamide is [H]/N=C(\N)N1CCN(C)CC1.
What is the InChIKey of 4-methylpiperazine-1-carboximidamide?
The InChIKey is JJAQEBBJCVBCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4/c1-9-2-4-10(5-3-9)6(7)8/h2-5H2,1H3,(H3,7,8).
What are the key properties of 4-methylpiperazine-1-carboximidamide?
4-methylpiperazine-1-carboximidamide has a molecular weight of 142.21 g/mol, XLogP of -0.87, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 2760028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).