(4R)-3-methoxy-4-[3-(2-methoxyethenyl)phenyl]-1-methylpiperidine

C16H23NO2 — CID 54226738

IUPAC(4R)-3-methoxy-4-[3-(2-methoxyethenyl)phenyl]-1-methylpiperidine
SMILESCOC=Cc1cccc([C@H]2CCN(C)CC2OC)c1
InChIInChI=1S/C16H23NO2/c1-17-9-7-15(16(12-17)19-3)14-6-4-5-13(11-14)8-10-18-2/h4-6,8,10-11,15-16H,7,9,12H2,1-3H3/t15-,16?/m1/s1
InChIKeyQGJIBSWBAHEOKE-AAFJCEBUSA-N
MW261.37 g/mol
LogP2.74
Rot. Bonds4

About (4R)-3-methoxy-4-[3-(2-methoxyethenyl)phenyl]-1-methylpiperidine

(4R)-3-methoxy-4-[3-(2-methoxyethenyl)phenyl]-1-methylpiperidine (PubChem CID 54226738) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (4R)-3-methoxy-4-[3-(2-methoxyethenyl)phenyl]-1-methylpiperidine.

Molecular Properties

Compound Name(4R)-3-methoxy-4-[3-(2-methoxyethenyl)phenyl]-1-methylpiperidine
PubChem CID54226738
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(4R)-3-methoxy-4-[3-(2-methoxyethenyl)phenyl]-1-methylpiperidine
SMILESCOC=Cc1cccc([C@H]2CCN(C)CC2OC)c1
InChIInChI=1S/C16H23NO2/c1-17-9-7-15(16(12-17)19-3)14-6-4-5-13(11-14)8-10-18-2/h4-6,8,10-11,15-16H,7,9,12H2,1-3H3/t15-,16?/m1/s1
InChIKeyQGJIBSWBAHEOKE-AAFJCEBUSA-N
XLogP2.74
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[3-[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]phenyl]methanol
CID 54081141
(3R)-1,3-dimethyl-4-(3-propoxyphenyl)piperidine
CID 143447260
tert-butyl (3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine-1-carboxylate
CID 70239687
(3S,4S)-3-methoxy-1-methylpiperidin-4-ol
CID 154669394
CID 176580102
CID 176580102
5-bromo-2-[(3S,4R)-3-methoxy-1-methylpiperidin-4-yl]-1,3-benzothiazole
CID 169112279
4-tert-butyl-3-methoxy-1-methylpiperidine
CID 58394887
CID 176580101
CID 176580101
1-isocyano-3-[(E)-2-methoxyethenyl]benzene
CID 58423983
(3R,4R)-1,3-dimethyl-4-phenylazepane
CID 125480807
(2R,3R)-2-[(E)-2-(3-chlorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine
CID 18632070
[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl] methyl carbonate
CID 68807567

Frequently Asked Questions

What is the IUPAC name of (4R)-3-methoxy-4-[3-(2-methoxyethenyl)phenyl]-1-methylpiperidine?
The IUPAC name of (4R)-3-methoxy-4-[3-(2-methoxyethenyl)phenyl]-1-methylpiperidine (CID 54226738) is (4R)-3-methoxy-4-[3-(2-methoxyethenyl)phenyl]-1-methylpiperidine.
What is the SMILES notation for (4R)-3-methoxy-4-[3-(2-methoxyethenyl)phenyl]-1-methylpiperidine?
The canonical SMILES for (4R)-3-methoxy-4-[3-(2-methoxyethenyl)phenyl]-1-methylpiperidine is COC=Cc1cccc([C@H]2CCN(C)CC2OC)c1.
What is the InChIKey of (4R)-3-methoxy-4-[3-(2-methoxyethenyl)phenyl]-1-methylpiperidine?
The InChIKey is QGJIBSWBAHEOKE-AAFJCEBUSA-N. The full InChI is InChI=1S/C16H23NO2/c1-17-9-7-15(16(12-17)19-3)14-6-4-5-13(11-14)8-10-18-2/h4-6,8,10-11,15-16H,7,9,12H2,1-3H3/t15-,16?/m1/s1.
What are the key properties of (4R)-3-methoxy-4-[3-(2-methoxyethenyl)phenyl]-1-methylpiperidine?
(4R)-3-methoxy-4-[3-(2-methoxyethenyl)phenyl]-1-methylpiperidine has a molecular weight of 261.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-methoxy-4-[3-(2-methoxyethenyl)phenyl]-1-methylpiperidine is sourced from PubChem (CID 54226738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).