3-[(4-methoxyphenoxy)methyl]-1-[methoxy(phenoxy)phosphoryl]-4-phenylpiperidine

C26H30NO5P — CID 58600274

IUPAC3-[(4-methoxyphenoxy)methyl]-1-[methoxy(phenoxy)phosphoryl]-4-phenylpiperidine
SMILESCOc1ccc(OCC2CN(P(=O)(OC)Oc3ccccc3)CCC2c2ccccc2)cc1
InChIInChI=1S/C26H30NO5P/c1-29-23-13-15-24(16-14-23)31-20-22-19-27(18-17-26(22)21-9-5-3-6-10-21)33(28,30-2)32-25-11-7-4-8-12-25/h3-16,22,26H,17-20H2,1-2H3
InChIKeyRWYPQJYPCLZLJZ-UHFFFAOYSA-N
MW467.50 g/mol
LogP6.01
Rot. Bonds9

About 3-[(4-methoxyphenoxy)methyl]-1-[methoxy(phenoxy)phosphoryl]-4-phenylpiperidine

3-[(4-methoxyphenoxy)methyl]-1-[methoxy(phenoxy)phosphoryl]-4-phenylpiperidine (PubChem CID 58600274) has the molecular formula C26H30NO5P and a molecular weight of 467.50 g/mol. Its IUPAC name is 3-[(4-methoxyphenoxy)methyl]-1-[methoxy(phenoxy)phosphoryl]-4-phenylpiperidine.

Molecular Properties

Compound Name3-[(4-methoxyphenoxy)methyl]-1-[methoxy(phenoxy)phosphoryl]-4-phenylpiperidine
PubChem CID58600274
Molecular FormulaC26H30NO5P
Molecular Weight467.50 g/mol
Exact Mass467.19
IUPAC Name3-[(4-methoxyphenoxy)methyl]-1-[methoxy(phenoxy)phosphoryl]-4-phenylpiperidine
SMILESCOc1ccc(OCC2CN(P(=O)(OC)Oc3ccccc3)CCC2c2ccccc2)cc1
InChIInChI=1S/C26H30NO5P/c1-29-23-13-15-24(16-14-23)31-20-22-19-27(18-17-26(22)21-9-5-3-6-10-21)33(28,30-2)32-25-11-7-4-8-12-25/h3-16,22,26H,17-20H2,1-2H3
InChIKeyRWYPQJYPCLZLJZ-UHFFFAOYSA-N
XLogP6.01
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.50
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenoxy)methyl]-1-[methoxy(phenoxy)phosphoryl]-4-phenylpiperidine?
The IUPAC name of 3-[(4-methoxyphenoxy)methyl]-1-[methoxy(phenoxy)phosphoryl]-4-phenylpiperidine (CID 58600274) is 3-[(4-methoxyphenoxy)methyl]-1-[methoxy(phenoxy)phosphoryl]-4-phenylpiperidine.
What is the SMILES notation for 3-[(4-methoxyphenoxy)methyl]-1-[methoxy(phenoxy)phosphoryl]-4-phenylpiperidine?
The canonical SMILES for 3-[(4-methoxyphenoxy)methyl]-1-[methoxy(phenoxy)phosphoryl]-4-phenylpiperidine is COc1ccc(OCC2CN(P(=O)(OC)Oc3ccccc3)CCC2c2ccccc2)cc1.
What is the InChIKey of 3-[(4-methoxyphenoxy)methyl]-1-[methoxy(phenoxy)phosphoryl]-4-phenylpiperidine?
The InChIKey is RWYPQJYPCLZLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30NO5P/c1-29-23-13-15-24(16-14-23)31-20-22-19-27(18-17-26(22)21-9-5-3-6-10-21)33(28,30-2)32-25-11-7-4-8-12-25/h3-16,22,26H,17-20H2,1-2H3.
What are the key properties of 3-[(4-methoxyphenoxy)methyl]-1-[methoxy(phenoxy)phosphoryl]-4-phenylpiperidine?
3-[(4-methoxyphenoxy)methyl]-1-[methoxy(phenoxy)phosphoryl]-4-phenylpiperidine has a molecular weight of 467.50 g/mol, XLogP of 6.01, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenoxy)methyl]-1-[methoxy(phenoxy)phosphoryl]-4-phenylpiperidine is sourced from PubChem (CID 58600274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).