2-[2-(3,4-dimethoxyphenoxy)-2-phenylethyl]-1-methylpiperidine

C22H29NO3 — CID 23339220

IUPAC2-[2-(3,4-dimethoxyphenoxy)-2-phenylethyl]-1-methylpiperidine
SMILESCOc1ccc(OC(CC2CCCCN2C)c2ccccc2)cc1OC
InChIInChI=1S/C22H29NO3/c1-23-14-8-7-11-18(23)15-21(17-9-5-4-6-10-17)26-19-12-13-20(24-2)22(16-19)25-3/h4-6,9-10,12-13,16,18,21H,7-8,11,14-15H2,1-3H3
InChIKeyCSMJPQQEAYRGFA-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.70
Rot. Bonds7

About 2-[2-(3,4-dimethoxyphenoxy)-2-phenylethyl]-1-methylpiperidine

2-[2-(3,4-dimethoxyphenoxy)-2-phenylethyl]-1-methylpiperidine (PubChem CID 23339220) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenoxy)-2-phenylethyl]-1-methylpiperidine.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenoxy)-2-phenylethyl]-1-methylpiperidine
PubChem CID23339220
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name2-[2-(3,4-dimethoxyphenoxy)-2-phenylethyl]-1-methylpiperidine
SMILESCOc1ccc(OC(CC2CCCCN2C)c2ccccc2)cc1OC
InChIInChI=1S/C22H29NO3/c1-23-14-8-7-11-18(23)15-21(17-9-5-4-6-10-17)26-19-12-13-20(24-2)22(16-19)25-3/h4-6,9-10,12-13,16,18,21H,7-8,11,14-15H2,1-3H3
InChIKeyCSMJPQQEAYRGFA-UHFFFAOYSA-N
XLogP4.70
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(3,4-dimethoxyphenoxy)-2-phenylethyl]-1-methylpiperidine with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-(4-methoxyphenoxy)-2-phenylethyl]-1-methylpyrrolidine
CID 54181155
[4-[2-(1-methylpiperidin-2-yl)-1-phenylethoxy]phenyl] acetate
CID 54137242
6-[2-(1-methylpiperidin-2-yl)-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 21287349
2-[2-(2-chlorophenoxy)-2-phenylethyl]-1-methylpiperidine
CID 54501628
[2-[2-(1-methylpiperidin-2-yl)-1-phenylethoxy]phenyl] acetate
CID 54224947
(2S)-2-[(2S)-2-(methoxymethoxy)-2-phenylethyl]-1-methylpiperidine
CID 11708725
1-methyl-2-[2-phenyl-2-[4-(trifluoromethylsulfanyl)phenoxy]ethyl]pyrrolidine
CID 57037717
(1R)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethanol;hydrochloride
CID 24842687
[(1S)-1-(3-methoxyphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethyl] acetate
CID 90475439
2-(benzhydryloxymethyl)-1-methylpiperidine
CID 23337120
2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine
CID 23452506
N-ethyl-2-(1-methylpiperidin-2-yl)-1-phenylethanamine
CID 57173334

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenoxy)-2-phenylethyl]-1-methylpiperidine?
The IUPAC name of 2-[2-(3,4-dimethoxyphenoxy)-2-phenylethyl]-1-methylpiperidine (CID 23339220) is 2-[2-(3,4-dimethoxyphenoxy)-2-phenylethyl]-1-methylpiperidine.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenoxy)-2-phenylethyl]-1-methylpiperidine?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenoxy)-2-phenylethyl]-1-methylpiperidine is COc1ccc(OC(CC2CCCCN2C)c2ccccc2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenoxy)-2-phenylethyl]-1-methylpiperidine?
The InChIKey is CSMJPQQEAYRGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-23-14-8-7-11-18(23)15-21(17-9-5-4-6-10-17)26-19-12-13-20(24-2)22(16-19)25-3/h4-6,9-10,12-13,16,18,21H,7-8,11,14-15H2,1-3H3.
What are the key properties of 2-[2-(3,4-dimethoxyphenoxy)-2-phenylethyl]-1-methylpiperidine?
2-[2-(3,4-dimethoxyphenoxy)-2-phenylethyl]-1-methylpiperidine has a molecular weight of 355.48 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenoxy)-2-phenylethyl]-1-methylpiperidine is sourced from PubChem (CID 23339220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).