1-dimethoxyphosphoryl-2-phenylpiperidine

C13H20NO3P — CID 91096563

IUPAC1-dimethoxyphosphoryl-2-phenylpiperidine
SMILESCOP(=O)(OC)N1CCCCC1c1ccccc1
InChIInChI=1S/C13H20NO3P/c1-16-18(15,17-2)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-5,8-9,13H,6-7,10-11H2,1-2H3
InChIKeyCXBMQVQEDZHFDC-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.61
Rot. Bonds4

About 1-dimethoxyphosphoryl-2-phenylpiperidine

1-dimethoxyphosphoryl-2-phenylpiperidine (PubChem CID 91096563) has the molecular formula C13H20NO3P and a molecular weight of 269.28 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-2-phenylpiperidine.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-2-phenylpiperidine
PubChem CID91096563
Molecular FormulaC13H20NO3P
Molecular Weight269.28 g/mol
Exact Mass269.12
IUPAC Name1-dimethoxyphosphoryl-2-phenylpiperidine
SMILESCOP(=O)(OC)N1CCCCC1c1ccccc1
InChIInChI=1S/C13H20NO3P/c1-16-18(15,17-2)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-5,8-9,13H,6-7,10-11H2,1-2H3
InChIKeyCXBMQVQEDZHFDC-UHFFFAOYSA-N
XLogP3.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.61
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-dimethoxyphosphoryl-2-phenylpiperidine?
The IUPAC name of 1-dimethoxyphosphoryl-2-phenylpiperidine (CID 91096563) is 1-dimethoxyphosphoryl-2-phenylpiperidine.
What is the SMILES notation for 1-dimethoxyphosphoryl-2-phenylpiperidine?
The canonical SMILES for 1-dimethoxyphosphoryl-2-phenylpiperidine is COP(=O)(OC)N1CCCCC1c1ccccc1.
What is the InChIKey of 1-dimethoxyphosphoryl-2-phenylpiperidine?
The InChIKey is CXBMQVQEDZHFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20NO3P/c1-16-18(15,17-2)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-5,8-9,13H,6-7,10-11H2,1-2H3.
What are the key properties of 1-dimethoxyphosphoryl-2-phenylpiperidine?
1-dimethoxyphosphoryl-2-phenylpiperidine has a molecular weight of 269.28 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-2-phenylpiperidine is sourced from PubChem (CID 91096563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).