1-[[ethoxy(methyl)phosphoryl]methyl]piperidine

C9H20NO2P — CID 2829253

IUPAC1-[[ethoxy(methyl)phosphoryl]methyl]piperidine
SMILESCCOP(C)(=O)CN1CCCCC1
InChIInChI=1S/C9H20NO2P/c1-3-12-13(2,11)9-10-7-5-4-6-8-10/h3-9H2,1-2H3
InChIKeyRGRNSXLNDSVTFS-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.37
Rot. Bonds4

About 1-[[ethoxy(methyl)phosphoryl]methyl]piperidine

1-[[ethoxy(methyl)phosphoryl]methyl]piperidine (PubChem CID 2829253) has the molecular formula C9H20NO2P and a molecular weight of 205.24 g/mol. Its IUPAC name is 1-[[ethoxy(methyl)phosphoryl]methyl]piperidine.

Molecular Properties

Compound Name1-[[ethoxy(methyl)phosphoryl]methyl]piperidine
PubChem CID2829253
Molecular FormulaC9H20NO2P
Molecular Weight205.24 g/mol
Exact Mass205.12
IUPAC Name1-[[ethoxy(methyl)phosphoryl]methyl]piperidine
SMILESCCOP(C)(=O)CN1CCCCC1
InChIInChI=1S/C9H20NO2P/c1-3-12-13(2,11)9-10-7-5-4-6-8-10/h3-9H2,1-2H3
InChIKeyRGRNSXLNDSVTFS-UHFFFAOYSA-N
XLogP2.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.37
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 1-[[ethoxy(methyl)phosphoryl]methyl]piperidine?
The IUPAC name of 1-[[ethoxy(methyl)phosphoryl]methyl]piperidine (CID 2829253) is 1-[[ethoxy(methyl)phosphoryl]methyl]piperidine.
What is the SMILES notation for 1-[[ethoxy(methyl)phosphoryl]methyl]piperidine?
The canonical SMILES for 1-[[ethoxy(methyl)phosphoryl]methyl]piperidine is CCOP(C)(=O)CN1CCCCC1.
What is the InChIKey of 1-[[ethoxy(methyl)phosphoryl]methyl]piperidine?
The InChIKey is RGRNSXLNDSVTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO2P/c1-3-12-13(2,11)9-10-7-5-4-6-8-10/h3-9H2,1-2H3.
What are the key properties of 1-[[ethoxy(methyl)phosphoryl]methyl]piperidine?
1-[[ethoxy(methyl)phosphoryl]methyl]piperidine has a molecular weight of 205.24 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[ethoxy(methyl)phosphoryl]methyl]piperidine is sourced from PubChem (CID 2829253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).