4-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpiperidine

C15H23NO2 — CID 58748493

IUPAC4-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpiperidine
SMILESCOc1ccc(OCC2CCN(C)CC2)cc1C
InChIInChI=1S/C15H23NO2/c1-12-10-14(4-5-15(12)17-3)18-11-13-6-8-16(2)9-7-13/h4-5,10,13H,6-9,11H2,1-3H3
InChIKeyRMVRYAQNKAFDTM-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.72
Rot. Bonds4

About 4-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpiperidine

4-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpiperidine (PubChem CID 58748493) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpiperidine
PubChem CID58748493
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpiperidine
SMILESCOc1ccc(OCC2CCN(C)CC2)cc1C
InChIInChI=1S/C15H23NO2/c1-12-10-14(4-5-15(12)17-3)18-11-13-6-8-16(2)9-7-13/h4-5,10,13H,6-9,11H2,1-3H3
InChIKeyRMVRYAQNKAFDTM-UHFFFAOYSA-N
XLogP2.72
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpyrrolidine
CID 143189445
1-methyl-4-[(4-methylphenoxy)methyl]piperidine
CID 123249578
3-[(2-methoxy-5-methylphenoxy)methyl]-1-methylpyrrolidine
CID 145385406
N-[(4-methoxy-3-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615017
4-(4-methoxy-3-methylphenyl)-1-methylpiperidine
CID 143502114
4-[(2-methoxy-4-nitrophenoxy)methyl]-1-methylpiperidine
CID 59815628
N-[(4-methoxy-3-methylphenyl)methyl]-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 25457846
3-[(1-methylpiperidin-4-yl)methoxy]benzonitrile
CID 68710696
4-[(3,4-dimethylphenoxy)methyl]piperidine;hydrochloride
CID 56831093
6-[(1-methylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075329
2-(3,4-dimethylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 99702462
3-methoxy-4-[(1-methylpyrrolidin-3-yl)methoxy]benzaldehyde
CID 117052352

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpiperidine?
The IUPAC name of 4-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpiperidine (CID 58748493) is 4-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpiperidine.
What is the SMILES notation for 4-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpiperidine?
The canonical SMILES for 4-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpiperidine is COc1ccc(OCC2CCN(C)CC2)cc1C.
What is the InChIKey of 4-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpiperidine?
The InChIKey is RMVRYAQNKAFDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-10-14(4-5-15(12)17-3)18-11-13-6-8-16(2)9-7-13/h4-5,10,13H,6-9,11H2,1-3H3.
What are the key properties of 4-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpiperidine?
4-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpiperidine has a molecular weight of 249.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpiperidine is sourced from PubChem (CID 58748493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).