[methoxy(piperidin-1-yl)phosphoryl] dimethyl phosphate

C8H19NO6P2 — CID 162624019

IUPAC[methoxy(piperidin-1-yl)phosphoryl] dimethyl phosphate
SMILESCOP(=O)(OC)OP(=O)(OC)N1CCCCC1
InChIInChI=1S/C8H19NO6P2/c1-12-16(10,9-7-5-4-6-8-9)15-17(11,13-2)14-3/h4-8H2,1-3H3
InChIKeyAWQIKEJXKGMFLB-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.64
Rot. Bonds6

About [methoxy(piperidin-1-yl)phosphoryl] dimethyl phosphate

[methoxy(piperidin-1-yl)phosphoryl] dimethyl phosphate (PubChem CID 162624019) has the molecular formula C8H19NO6P2 and a molecular weight of 287.19 g/mol. Its IUPAC name is [methoxy(piperidin-1-yl)phosphoryl] dimethyl phosphate.

Molecular Properties

Compound Name[methoxy(piperidin-1-yl)phosphoryl] dimethyl phosphate
PubChem CID162624019
Molecular FormulaC8H19NO6P2
Molecular Weight287.19 g/mol
Exact Mass287.07
IUPAC Name[methoxy(piperidin-1-yl)phosphoryl] dimethyl phosphate
SMILESCOP(=O)(OC)OP(=O)(OC)N1CCCCC1
InChIInChI=1S/C8H19NO6P2/c1-12-16(10,9-7-5-4-6-8-9)15-17(11,13-2)14-3/h4-8H2,1-3H3
InChIKeyAWQIKEJXKGMFLB-UHFFFAOYSA-N
XLogP2.64
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.64
H-Bond Donors ≤ 50
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 [methoxy(piperidin-1-yl)phosphoryl] dimethyl phosphate?
The IUPAC name of [methoxy(piperidin-1-yl)phosphoryl] dimethyl phosphate (CID 162624019) is [methoxy(piperidin-1-yl)phosphoryl] dimethyl phosphate.
What is the SMILES notation for [methoxy(piperidin-1-yl)phosphoryl] dimethyl phosphate?
The canonical SMILES for [methoxy(piperidin-1-yl)phosphoryl] dimethyl phosphate is COP(=O)(OC)OP(=O)(OC)N1CCCCC1.
What is the InChIKey of [methoxy(piperidin-1-yl)phosphoryl] dimethyl phosphate?
The InChIKey is AWQIKEJXKGMFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO6P2/c1-12-16(10,9-7-5-4-6-8-9)15-17(11,13-2)14-3/h4-8H2,1-3H3.
What are the key properties of [methoxy(piperidin-1-yl)phosphoryl] dimethyl phosphate?
[methoxy(piperidin-1-yl)phosphoryl] dimethyl phosphate has a molecular weight of 287.19 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy(piperidin-1-yl)phosphoryl] dimethyl phosphate is sourced from PubChem (CID 162624019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).