[(2,6-dimethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid

C8H19NO6P2 — CID 5277471

IUPAC[(2,6-dimethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid
SMILESCC1CCCC(C)N1C(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C8H19NO6P2/c1-6-4-3-5-7(2)9(6)8(16(10,11)12)17(13,14)15/h6-8H,3-5H2,1-2H3,(H2,10,11,12)(H2,13,14,15)
InChIKeyDPJDBLQKCXWIKU-UHFFFAOYSA-N
MW287.19 g/mol
LogP0.89
Rot. Bonds3

About [(2,6-dimethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid

[(2,6-dimethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid (PubChem CID 5277471) has the molecular formula C8H19NO6P2 and a molecular weight of 287.19 g/mol. Its IUPAC name is [(2,6-dimethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid.

Molecular Properties

Compound Name[(2,6-dimethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid
PubChem CID5277471
Molecular FormulaC8H19NO6P2
Molecular Weight287.19 g/mol
Exact Mass287.07
IUPAC Name[(2,6-dimethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid
SMILESCC1CCCC(C)N1C(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C8H19NO6P2/c1-6-4-3-5-7(2)9(6)8(16(10,11)12)17(13,14)15/h6-8H,3-5H2,1-2H3,(H2,10,11,12)(H2,13,14,15)
InChIKeyDPJDBLQKCXWIKU-UHFFFAOYSA-N
XLogP0.89
TPSA118.30 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(2,6-dimethylpiperidin-1-yl)-phosphonomethyl]phosphonic 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 [(2,6-dimethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid?
The IUPAC name of [(2,6-dimethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid (CID 5277471) is [(2,6-dimethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid.
What is the SMILES notation for [(2,6-dimethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid?
The canonical SMILES for [(2,6-dimethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid is CC1CCCC(C)N1C(P(=O)(O)O)P(=O)(O)O.
What is the InChIKey of [(2,6-dimethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid?
The InChIKey is DPJDBLQKCXWIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO6P2/c1-6-4-3-5-7(2)9(6)8(16(10,11)12)17(13,14)15/h6-8H,3-5H2,1-2H3,(H2,10,11,12)(H2,13,14,15).
What are the key properties of [(2,6-dimethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid?
[(2,6-dimethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid has a molecular weight of 287.19 g/mol, XLogP of 0.89, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,6-dimethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid is sourced from PubChem (CID 5277471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).