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

C20H25NO — CID 134135372

IUPAC1-[[3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine
SMILESCOc1ccccc1-c1cccc(CN2CCC(C)CC2)c1
InChIInChI=1S/C20H25NO/c1-16-10-12-21(13-11-16)15-17-6-5-7-18(14-17)19-8-3-4-9-20(19)22-2/h3-9,14,16H,10-13,15H2,1-2H3
InChIKeyZINXHSUFYPKHCS-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.59
Rot. Bonds4

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

1-[[3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine (PubChem CID 134135372) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-[[3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[[3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine
PubChem CID134135372
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name1-[[3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine
SMILESCOc1ccccc1-c1cccc(CN2CCC(C)CC2)c1
InChIInChI=1S/C20H25NO/c1-16-10-12-21(13-11-16)15-17-6-5-7-18(14-17)19-8-3-4-9-20(19)22-2/h3-9,14,16H,10-13,15H2,1-2H3
InChIKeyZINXHSUFYPKHCS-UHFFFAOYSA-N
XLogP4.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine?
The IUPAC name of 1-[[3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine (CID 134135372) is 1-[[3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[[3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine?
The canonical SMILES for 1-[[3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine is COc1ccccc1-c1cccc(CN2CCC(C)CC2)c1.
What is the InChIKey of 1-[[3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine?
The InChIKey is ZINXHSUFYPKHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-16-10-12-21(13-11-16)15-17-6-5-7-18(14-17)19-8-3-4-9-20(19)22-2/h3-9,14,16H,10-13,15H2,1-2H3.
What are the key properties of 1-[[3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine?
1-[[3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine has a molecular weight of 295.43 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine is sourced from PubChem (CID 134135372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).