disodium;dioxido(piperidin-1-ylmethyl)phosphane

C6H12NNa2O2P — CID 171904708

IUPACdisodium;dioxido(piperidin-1-ylmethyl)phosphane
SMILES[Na+].[Na+].[O-]P([O-])CN1CCCCC1
InChIInChI=1S/C6H12NO2P.2Na/c8-10(9)6-7-4-2-1-3-5-7;;/h1-6H2;;/q-2;2*+1
InChIKeyHPQWAOKZAQKZTE-UHFFFAOYSA-N
MW207.12 g/mol
LogP-6.53
Rot. Bonds2

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

disodium;dioxido(piperidin-1-ylmethyl)phosphane (PubChem CID 171904708) has the molecular formula C6H12NNa2O2P and a molecular weight of 207.12 g/mol. Its IUPAC name is disodium;dioxido(piperidin-1-ylmethyl)phosphane.

Molecular Properties

Compound Namedisodium;dioxido(piperidin-1-ylmethyl)phosphane
PubChem CID171904708
Molecular FormulaC6H12NNa2O2P
Molecular Weight207.12 g/mol
Exact Mass207.04
IUPAC Namedisodium;dioxido(piperidin-1-ylmethyl)phosphane
SMILES[Na+].[Na+].[O-]P([O-])CN1CCCCC1
InChIInChI=1S/C6H12NO2P.2Na/c8-10(9)6-7-4-2-1-3-5-7;;/h1-6H2;;/q-2;2*+1
InChIKeyHPQWAOKZAQKZTE-UHFFFAOYSA-N
XLogP-6.53
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.12
LogP ≤ 5-6.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze disodium;dioxido(piperidin-1-ylmethyl)phosphane with MolForge

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

Launch Full Analysis

Related Compounds

phosphonothioic acid, 1-piperidinyl-, disodium salt
CID 3069226
phosphonic acid, 1-piperidinyl-, disodium salt
CID 3088178
Piperidin-1-ylmethylphosphonic acid
CID 4491457
Piperidin-1-ylmethyl-phosphinic acid
CID 6347386
(Piperidin-1-ylmethyl)phosphinate
CID 6372284
Sodium (piperidin-1-ylmethyl)phosphinate
CID 6377294
CID 71343391
CID 71343391
Piperidin-1-ylmethylphosphonous acid
CID 171904709
Sodium 1-(piperidin-1-yl)propylphosphonite
CID 171934060

Frequently Asked Questions

What is the IUPAC name of disodium;dioxido(piperidin-1-ylmethyl)phosphane?
The IUPAC name of disodium;dioxido(piperidin-1-ylmethyl)phosphane (CID 171904708) is disodium;dioxido(piperidin-1-ylmethyl)phosphane.
What is the SMILES notation for disodium;dioxido(piperidin-1-ylmethyl)phosphane?
The canonical SMILES for disodium;dioxido(piperidin-1-ylmethyl)phosphane is [Na+].[Na+].[O-]P([O-])CN1CCCCC1.
What is the InChIKey of disodium;dioxido(piperidin-1-ylmethyl)phosphane?
The InChIKey is HPQWAOKZAQKZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO2P.2Na/c8-10(9)6-7-4-2-1-3-5-7;;/h1-6H2;;/q-2;2*+1.
What are the key properties of disodium;dioxido(piperidin-1-ylmethyl)phosphane?
disodium;dioxido(piperidin-1-ylmethyl)phosphane has a molecular weight of 207.12 g/mol, XLogP of -6.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;dioxido(piperidin-1-ylmethyl)phosphane is sourced from PubChem (CID 171904708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).