disodium;dioxido(1-piperidin-1-ylpropyl)phosphane

C8H16NNa2O2P — CID 171934060

IUPACdisodium;dioxido(1-piperidin-1-ylpropyl)phosphane
SMILESCCC(N1CCCCC1)P([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C8H16NO2P.2Na/c1-2-8(12(10)11)9-6-4-3-5-7-9;;/h8H,2-7H2,1H3;;/q-2;2*+1
InChIKeyXFRYBTQUJUNRRT-UHFFFAOYSA-N
MW235.17 g/mol
LogP-5.75
Rot. Bonds3

About disodium;dioxido(1-piperidin-1-ylpropyl)phosphane

disodium;dioxido(1-piperidin-1-ylpropyl)phosphane (PubChem CID 171934060) has the molecular formula C8H16NNa2O2P and a molecular weight of 235.17 g/mol. Its IUPAC name is disodium;dioxido(1-piperidin-1-ylpropyl)phosphane.

Molecular Properties

Compound Namedisodium;dioxido(1-piperidin-1-ylpropyl)phosphane
PubChem CID171934060
Molecular FormulaC8H16NNa2O2P
Molecular Weight235.17 g/mol
Exact Mass235.07
IUPAC Namedisodium;dioxido(1-piperidin-1-ylpropyl)phosphane
SMILESCCC(N1CCCCC1)P([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C8H16NO2P.2Na/c1-2-8(12(10)11)9-6-4-3-5-7-9;;/h8H,2-7H2,1H3;;/q-2;2*+1
InChIKeyXFRYBTQUJUNRRT-UHFFFAOYSA-N
XLogP-5.75
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.17
LogP ≤ 5-5.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze disodium;dioxido(1-piperidin-1-ylpropyl)phosphane 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 disodium;dioxido(1-piperidin-1-ylpropyl)phosphane?
The IUPAC name of disodium;dioxido(1-piperidin-1-ylpropyl)phosphane (CID 171934060) is disodium;dioxido(1-piperidin-1-ylpropyl)phosphane.
What is the SMILES notation for disodium;dioxido(1-piperidin-1-ylpropyl)phosphane?
The canonical SMILES for disodium;dioxido(1-piperidin-1-ylpropyl)phosphane is CCC(N1CCCCC1)P([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;dioxido(1-piperidin-1-ylpropyl)phosphane?
The InChIKey is XFRYBTQUJUNRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO2P.2Na/c1-2-8(12(10)11)9-6-4-3-5-7-9;;/h8H,2-7H2,1H3;;/q-2;2*+1.
What are the key properties of disodium;dioxido(1-piperidin-1-ylpropyl)phosphane?
disodium;dioxido(1-piperidin-1-ylpropyl)phosphane has a molecular weight of 235.17 g/mol, XLogP of -5.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;dioxido(1-piperidin-1-ylpropyl)phosphane is sourced from PubChem (CID 171934060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).