1-ethylpiperidine;phosphonous acid

C7H18NO2P — CID 11492035

IUPAC1-ethylpiperidine;phosphonous acid
SMILESCCN1CCCCC1.OPO
InChIInChI=1S/C7H15N.H3O2P/c1-2-8-6-4-3-5-7-8;1-3-2/h2-7H2,1H3;1-3H
InChIKeyBNCZSWZTYPTERM-UHFFFAOYSA-N
MW179.20 g/mol
LogP0.97
Rot. Bonds1

About 1-ethylpiperidine;phosphonous acid

1-ethylpiperidine;phosphonous acid (PubChem CID 11492035) has the molecular formula C7H18NO2P and a molecular weight of 179.20 g/mol. Its IUPAC name is 1-ethylpiperidine;phosphonous acid.

Molecular Properties

Compound Name1-ethylpiperidine;phosphonous acid
PubChem CID11492035
Molecular FormulaC7H18NO2P
Molecular Weight179.20 g/mol
Exact Mass179.11
IUPAC Name1-ethylpiperidine;phosphonous acid
SMILESCCN1CCCCC1.OPO
InChIInChI=1S/C7H15N.H3O2P/c1-2-8-6-4-3-5-7-8;1-3-2/h2-7H2,1H3;1-3H
InChIKeyBNCZSWZTYPTERM-UHFFFAOYSA-N
XLogP0.97
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethylpiperidine;phosphonous 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-ethylpiperidine;phosphonous acid?
The IUPAC name of 1-ethylpiperidine;phosphonous acid (CID 11492035) is 1-ethylpiperidine;phosphonous acid.
What is the SMILES notation for 1-ethylpiperidine;phosphonous acid?
The canonical SMILES for 1-ethylpiperidine;phosphonous acid is CCN1CCCCC1.OPO.
What is the InChIKey of 1-ethylpiperidine;phosphonous acid?
The InChIKey is BNCZSWZTYPTERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.H3O2P/c1-2-8-6-4-3-5-7-8;1-3-2/h2-7H2,1H3;1-3H.
What are the key properties of 1-ethylpiperidine;phosphonous acid?
1-ethylpiperidine;phosphonous acid has a molecular weight of 179.20 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpiperidine;phosphonous acid is sourced from PubChem (CID 11492035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).