piperidin-1-ylmethylphosphonous acid

C6H14NO2P — CID 171904709

IUPACpiperidin-1-ylmethylphosphonous acid
SMILESOP(O)CN1CCCCC1
InChIInChI=1S/C6H14NO2P/c8-10(9)6-7-4-2-1-3-5-7/h8-9H,1-6H2
InChIKeyGSEAYZBVPUWDJF-UHFFFAOYSA-N
MW163.16 g/mol
LogP0.73
Rot. Bonds2

About piperidin-1-ylmethylphosphonous acid

piperidin-1-ylmethylphosphonous acid (PubChem CID 171904709) has the molecular formula C6H14NO2P and a molecular weight of 163.16 g/mol. Its IUPAC name is piperidin-1-ylmethylphosphonous acid.

Molecular Properties

Compound Namepiperidin-1-ylmethylphosphonous acid
PubChem CID171904709
Molecular FormulaC6H14NO2P
Molecular Weight163.16 g/mol
Exact Mass163.08
IUPAC Namepiperidin-1-ylmethylphosphonous acid
SMILESOP(O)CN1CCCCC1
InChIInChI=1S/C6H14NO2P/c8-10(9)6-7-4-2-1-3-5-7/h8-9H,1-6H2
InChIKeyGSEAYZBVPUWDJF-UHFFFAOYSA-N
XLogP0.73
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.16
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze piperidin-1-ylmethylphosphonous 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 piperidin-1-ylmethylphosphonous acid?
The IUPAC name of piperidin-1-ylmethylphosphonous acid (CID 171904709) is piperidin-1-ylmethylphosphonous acid.
What is the SMILES notation for piperidin-1-ylmethylphosphonous acid?
The canonical SMILES for piperidin-1-ylmethylphosphonous acid is OP(O)CN1CCCCC1.
What is the InChIKey of piperidin-1-ylmethylphosphonous acid?
The InChIKey is GSEAYZBVPUWDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO2P/c8-10(9)6-7-4-2-1-3-5-7/h8-9H,1-6H2.
What are the key properties of piperidin-1-ylmethylphosphonous acid?
piperidin-1-ylmethylphosphonous acid has a molecular weight of 163.16 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-ylmethylphosphonous acid is sourced from PubChem (CID 171904709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).