1-methylpiperazine;phosphoric acid

C5H15N2O4P — CID 71361246

IUPAC1-methylpiperazine;phosphoric acid
SMILESCN1CCNCC1.O=P(O)(O)O
InChIInChI=1S/C5H12N2.H3O4P/c1-7-4-2-6-3-5-7;1-5(2,3)4/h6H,2-5H2,1H3;(H3,1,2,3,4)
InChIKeyRAOYCZKLZXKHGK-UHFFFAOYSA-N
MW198.16 g/mol
LogP-1.41
Rot. Bonds

About 1-methylpiperazine;phosphoric acid

1-methylpiperazine;phosphoric acid (PubChem CID 71361246) has the molecular formula C5H15N2O4P and a molecular weight of 198.16 g/mol. Its IUPAC name is 1-methylpiperazine;phosphoric acid.

Molecular Properties

Compound Name1-methylpiperazine;phosphoric acid
PubChem CID71361246
Molecular FormulaC5H15N2O4P
Molecular Weight198.16 g/mol
Exact Mass198.08
IUPAC Name1-methylpiperazine;phosphoric acid
SMILESCN1CCNCC1.O=P(O)(O)O
InChIInChI=1S/C5H12N2.H3O4P/c1-7-4-2-6-3-5-7;1-5(2,3)4/h6H,2-5H2,1H3;(H3,1,2,3,4)
InChIKeyRAOYCZKLZXKHGK-UHFFFAOYSA-N
XLogP-1.41
TPSA93.03 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.16
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methylpiperazine;phosphoric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperazine;phosphoric acid?
The IUPAC name of 1-methylpiperazine;phosphoric acid (CID 71361246) is 1-methylpiperazine;phosphoric acid.
What is the SMILES notation for 1-methylpiperazine;phosphoric acid?
The canonical SMILES for 1-methylpiperazine;phosphoric acid is CN1CCNCC1.O=P(O)(O)O.
What is the InChIKey of 1-methylpiperazine;phosphoric acid?
The InChIKey is RAOYCZKLZXKHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.H3O4P/c1-7-4-2-6-3-5-7;1-5(2,3)4/h6H,2-5H2,1H3;(H3,1,2,3,4).
What are the key properties of 1-methylpiperazine;phosphoric acid?
1-methylpiperazine;phosphoric acid has a molecular weight of 198.16 g/mol, XLogP of -1.41, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperazine;phosphoric acid is sourced from PubChem (CID 71361246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).