2-[ethoxy(phenyl)phosphoryl]piperidine

C13H20NO2P — CID 14491033

IUPAC2-[ethoxy(phenyl)phosphoryl]piperidine
SMILESCCOP(=O)(c1ccccc1)C1CCCCN1
InChIInChI=1S/C13H20NO2P/c1-2-16-17(15,12-8-4-3-5-9-12)13-10-6-7-11-14-13/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3
InChIKeySOIDXYRICHAULM-UHFFFAOYSA-N
MW253.28 g/mol
LogP2.73
Rot. Bonds4

About 2-[ethoxy(phenyl)phosphoryl]piperidine

2-[ethoxy(phenyl)phosphoryl]piperidine (PubChem CID 14491033) has the molecular formula C13H20NO2P and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-[ethoxy(phenyl)phosphoryl]piperidine.

Molecular Properties

Compound Name2-[ethoxy(phenyl)phosphoryl]piperidine
PubChem CID14491033
Molecular FormulaC13H20NO2P
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name2-[ethoxy(phenyl)phosphoryl]piperidine
SMILESCCOP(=O)(c1ccccc1)C1CCCCN1
InChIInChI=1S/C13H20NO2P/c1-2-16-17(15,12-8-4-3-5-9-12)13-10-6-7-11-14-13/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3
InChIKeySOIDXYRICHAULM-UHFFFAOYSA-N
XLogP2.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[ethoxy(phenyl)phosphoryl]piperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy(phenyl)phosphoryl]piperidine?
The IUPAC name of 2-[ethoxy(phenyl)phosphoryl]piperidine (CID 14491033) is 2-[ethoxy(phenyl)phosphoryl]piperidine.
What is the SMILES notation for 2-[ethoxy(phenyl)phosphoryl]piperidine?
The canonical SMILES for 2-[ethoxy(phenyl)phosphoryl]piperidine is CCOP(=O)(c1ccccc1)C1CCCCN1.
What is the InChIKey of 2-[ethoxy(phenyl)phosphoryl]piperidine?
The InChIKey is SOIDXYRICHAULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20NO2P/c1-2-16-17(15,12-8-4-3-5-9-12)13-10-6-7-11-14-13/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3.
What are the key properties of 2-[ethoxy(phenyl)phosphoryl]piperidine?
2-[ethoxy(phenyl)phosphoryl]piperidine has a molecular weight of 253.28 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(phenyl)phosphoryl]piperidine is sourced from PubChem (CID 14491033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).