1-[[4-methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine

C21H27NO2 — CID 134144798

IUPAC1-[[4-methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine
SMILESCOc1ccccc1-c1cc(CN2CCC(C)CC2)ccc1OC
InChIInChI=1S/C21H27NO2/c1-16-10-12-22(13-11-16)15-17-8-9-21(24-3)19(14-17)18-6-4-5-7-20(18)23-2/h4-9,14,16H,10-13,15H2,1-3H3
InChIKeyOJSVBQOCIIXGMP-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.60
Rot. Bonds5

About 1-[[4-methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine

1-[[4-methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine (PubChem CID 134144798) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 1-[[4-methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[[4-methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine
PubChem CID134144798
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name1-[[4-methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine
SMILESCOc1ccccc1-c1cc(CN2CCC(C)CC2)ccc1OC
InChIInChI=1S/C21H27NO2/c1-16-10-12-22(13-11-16)15-17-8-9-21(24-3)19(14-17)18-6-4-5-7-20(18)23-2/h4-9,14,16H,10-13,15H2,1-3H3
InChIKeyOJSVBQOCIIXGMP-UHFFFAOYSA-N
XLogP4.60
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine?
The IUPAC name of 1-[[4-methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine (CID 134144798) is 1-[[4-methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[[4-methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine?
The canonical SMILES for 1-[[4-methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine is COc1ccccc1-c1cc(CN2CCC(C)CC2)ccc1OC.
What is the InChIKey of 1-[[4-methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine?
The InChIKey is OJSVBQOCIIXGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-16-10-12-22(13-11-16)15-17-8-9-21(24-3)19(14-17)18-6-4-5-7-20(18)23-2/h4-9,14,16H,10-13,15H2,1-3H3.
What are the key properties of 1-[[4-methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine?
1-[[4-methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine has a molecular weight of 325.45 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methoxy-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine is sourced from PubChem (CID 134144798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).