(1-hydroxy-2,2,6-trimethyl-6-oxidopiperidin-4-yl)oxy-methylphosphinate

C9H18NO5P-2 — CID 140879136

IUPAC(1-hydroxy-2,2,6-trimethyl-6-oxidopiperidin-4-yl)oxy-methylphosphinate
SMILESCC1(C)CC(OP(C)(=O)[O-])CC(C)([O-])N1O
InChIInChI=1S/C9H19NO5P/c1-8(2)5-7(15-16(4,13)14)6-9(3,11)10(8)12/h7,12H,5-6H2,1-4H3,(H,13,14)/q-1/p-1
InChIKeyRYCTTYBUJJVSFT-UHFFFAOYSA-M
MW251.22 g/mol
LogP-0.11
Rot. Bonds2

About (1-hydroxy-2,2,6-trimethyl-6-oxidopiperidin-4-yl)oxy-methylphosphinate

(1-hydroxy-2,2,6-trimethyl-6-oxidopiperidin-4-yl)oxy-methylphosphinate (PubChem CID 140879136) has the molecular formula C9H18NO5P-2 and a molecular weight of 251.22 g/mol. Its IUPAC name is (1-hydroxy-2,2,6-trimethyl-6-oxidopiperidin-4-yl)oxy-methylphosphinate.

Molecular Properties

Compound Name(1-hydroxy-2,2,6-trimethyl-6-oxidopiperidin-4-yl)oxy-methylphosphinate
PubChem CID140879136
Molecular FormulaC9H18NO5P-2
Molecular Weight251.22 g/mol
Exact Mass251.09
IUPAC Name(1-hydroxy-2,2,6-trimethyl-6-oxidopiperidin-4-yl)oxy-methylphosphinate
SMILESCC1(C)CC(OP(C)(=O)[O-])CC(C)([O-])N1O
InChIInChI=1S/C9H19NO5P/c1-8(2)5-7(15-16(4,13)14)6-9(3,11)10(8)12/h7,12H,5-6H2,1-4H3,(H,13,14)/q-1/p-1
InChIKeyRYCTTYBUJJVSFT-UHFFFAOYSA-M
XLogP-0.11
TPSA95.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2,2,6-trimethyl-6-oxidopiperidin-4-yl)oxy-methylphosphinate?
The IUPAC name of (1-hydroxy-2,2,6-trimethyl-6-oxidopiperidin-4-yl)oxy-methylphosphinate (CID 140879136) is (1-hydroxy-2,2,6-trimethyl-6-oxidopiperidin-4-yl)oxy-methylphosphinate.
What is the SMILES notation for (1-hydroxy-2,2,6-trimethyl-6-oxidopiperidin-4-yl)oxy-methylphosphinate?
The canonical SMILES for (1-hydroxy-2,2,6-trimethyl-6-oxidopiperidin-4-yl)oxy-methylphosphinate is CC1(C)CC(OP(C)(=O)[O-])CC(C)([O-])N1O.
What is the InChIKey of (1-hydroxy-2,2,6-trimethyl-6-oxidopiperidin-4-yl)oxy-methylphosphinate?
The InChIKey is RYCTTYBUJJVSFT-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H19NO5P/c1-8(2)5-7(15-16(4,13)14)6-9(3,11)10(8)12/h7,12H,5-6H2,1-4H3,(H,13,14)/q-1/p-1.
What are the key properties of (1-hydroxy-2,2,6-trimethyl-6-oxidopiperidin-4-yl)oxy-methylphosphinate?
(1-hydroxy-2,2,6-trimethyl-6-oxidopiperidin-4-yl)oxy-methylphosphinate has a molecular weight of 251.22 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2,2,6-trimethyl-6-oxidopiperidin-4-yl)oxy-methylphosphinate is sourced from PubChem (CID 140879136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).