4-[(3,5-dimethoxyphenyl)methoxymethyl]-4-phenylpiperidine

C21H27NO3 — CID 10499846

IUPAC4-[(3,5-dimethoxyphenyl)methoxymethyl]-4-phenylpiperidine
SMILESCOc1cc(COCC2(c3ccccc3)CCNCC2)cc(OC)c1
InChIInChI=1S/C21H27NO3/c1-23-19-12-17(13-20(14-19)24-2)15-25-16-21(8-10-22-11-9-21)18-6-4-3-5-7-18/h3-7,12-14,22H,8-11,15-16H2,1-2H3
InChIKeyVWWCVKHTTUEFDI-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.54
Rot. Bonds7

About 4-[(3,5-dimethoxyphenyl)methoxymethyl]-4-phenylpiperidine

4-[(3,5-dimethoxyphenyl)methoxymethyl]-4-phenylpiperidine (PubChem CID 10499846) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 4-[(3,5-dimethoxyphenyl)methoxymethyl]-4-phenylpiperidine.

Molecular Properties

Compound Name4-[(3,5-dimethoxyphenyl)methoxymethyl]-4-phenylpiperidine
PubChem CID10499846
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name4-[(3,5-dimethoxyphenyl)methoxymethyl]-4-phenylpiperidine
SMILESCOc1cc(COCC2(c3ccccc3)CCNCC2)cc(OC)c1
InChIInChI=1S/C21H27NO3/c1-23-19-12-17(13-20(14-19)24-2)15-25-16-21(8-10-22-11-9-21)18-6-4-3-5-7-18/h3-7,12-14,22H,8-11,15-16H2,1-2H3
InChIKeyVWWCVKHTTUEFDI-UHFFFAOYSA-N
XLogP3.54
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(3,5-dimethoxyphenyl)methoxymethyl]-4-phenylpiperidine 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 4-[(3,5-dimethoxyphenyl)methoxymethyl]-4-phenylpiperidine?
The IUPAC name of 4-[(3,5-dimethoxyphenyl)methoxymethyl]-4-phenylpiperidine (CID 10499846) is 4-[(3,5-dimethoxyphenyl)methoxymethyl]-4-phenylpiperidine.
What is the SMILES notation for 4-[(3,5-dimethoxyphenyl)methoxymethyl]-4-phenylpiperidine?
The canonical SMILES for 4-[(3,5-dimethoxyphenyl)methoxymethyl]-4-phenylpiperidine is COc1cc(COCC2(c3ccccc3)CCNCC2)cc(OC)c1.
What is the InChIKey of 4-[(3,5-dimethoxyphenyl)methoxymethyl]-4-phenylpiperidine?
The InChIKey is VWWCVKHTTUEFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-23-19-12-17(13-20(14-19)24-2)15-25-16-21(8-10-22-11-9-21)18-6-4-3-5-7-18/h3-7,12-14,22H,8-11,15-16H2,1-2H3.
What are the key properties of 4-[(3,5-dimethoxyphenyl)methoxymethyl]-4-phenylpiperidine?
4-[(3,5-dimethoxyphenyl)methoxymethyl]-4-phenylpiperidine has a molecular weight of 341.45 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethoxyphenyl)methoxymethyl]-4-phenylpiperidine is sourced from PubChem (CID 10499846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).