ethoxy(piperidin-1-yl)phosphinate

C7H15NO3P- — CID 102221959

IUPACethoxy(piperidin-1-yl)phosphinate
SMILESCCOP(=O)([O-])N1CCCCC1
InChIInChI=1S/C7H16NO3P/c1-2-11-12(9,10)8-6-4-3-5-7-8/h2-7H2,1H3,(H,9,10)/p-1
InChIKeyVSGDKAJAZHJXGP-UHFFFAOYSA-M
MW192.17 g/mol
LogP0.98
Rot. Bonds3

About ethoxy(piperidin-1-yl)phosphinate

ethoxy(piperidin-1-yl)phosphinate (PubChem CID 102221959) has the molecular formula C7H15NO3P- and a molecular weight of 192.17 g/mol. Its IUPAC name is ethoxy(piperidin-1-yl)phosphinate.

Molecular Properties

Compound Nameethoxy(piperidin-1-yl)phosphinate
PubChem CID102221959
Molecular FormulaC7H15NO3P-
Molecular Weight192.17 g/mol
Exact Mass192.08
IUPAC Nameethoxy(piperidin-1-yl)phosphinate
SMILESCCOP(=O)([O-])N1CCCCC1
InChIInChI=1S/C7H16NO3P/c1-2-11-12(9,10)8-6-4-3-5-7-8/h2-7H2,1H3,(H,9,10)/p-1
InChIKeyVSGDKAJAZHJXGP-UHFFFAOYSA-M
XLogP0.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxy(piperidin-1-yl)phosphinate?
The IUPAC name of ethoxy(piperidin-1-yl)phosphinate (CID 102221959) is ethoxy(piperidin-1-yl)phosphinate.
What is the SMILES notation for ethoxy(piperidin-1-yl)phosphinate?
The canonical SMILES for ethoxy(piperidin-1-yl)phosphinate is CCOP(=O)([O-])N1CCCCC1.
What is the InChIKey of ethoxy(piperidin-1-yl)phosphinate?
The InChIKey is VSGDKAJAZHJXGP-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H16NO3P/c1-2-11-12(9,10)8-6-4-3-5-7-8/h2-7H2,1H3,(H,9,10)/p-1.
What are the key properties of ethoxy(piperidin-1-yl)phosphinate?
ethoxy(piperidin-1-yl)phosphinate has a molecular weight of 192.17 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(piperidin-1-yl)phosphinate is sourced from PubChem (CID 102221959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).