1-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridine

C21H25NO2 — CID 75583196

IUPAC1-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridine
SMILESCN1CC=CC(OCc2ccccc2)C1COCc1ccccc1
InChIInChI=1S/C21H25NO2/c1-22-14-8-13-21(24-16-19-11-6-3-7-12-19)20(22)17-23-15-18-9-4-2-5-10-18/h2-13,20-21H,14-17H2,1H3
InChIKeyBSGRNJIOMXLJMN-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.66
Rot. Bonds7

About 1-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridine

1-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridine (PubChem CID 75583196) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridine
PubChem CID75583196
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name1-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridine
SMILESCN1CC=CC(OCc2ccccc2)C1COCc1ccccc1
InChIInChI=1S/C21H25NO2/c1-22-14-8-13-21(24-16-19-11-6-3-7-12-19)20(22)17-23-15-18-9-4-2-5-10-18/h2-13,20-21H,14-17H2,1H3
InChIKeyBSGRNJIOMXLJMN-UHFFFAOYSA-N
XLogP3.66
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(5R,6S)-5,6-bis(phenylmethoxy)cyclohex-3-en-1-yl]methoxymethylbenzene
CID 138969880
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CID 18426108
(2S,3S)-1-benzyl-2-(chloromethyl)-3-phenylmethoxy-3,6-dihydro-2H-pyridine
CID 45101703
(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran
CID 2734741
5-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 166975544
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
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CID 45101702
(3R,4R)-1-benzyl-4-phenylmethoxy-2,3,4,7-tetrahydroazepin-3-ol
CID 50906529
(3R,4R)-1-butyl-5-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,4-diol
CID 169438097
(2S,3R,4R,5S)-1-butyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 69117610
(2S,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-1-propylpiperidine
CID 158056733
(2S,3R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-2,3-dihydrofuran
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridine (CID 75583196) is 1-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridine is CN1CC=CC(OCc2ccccc2)C1COCc1ccccc1.
What is the InChIKey of 1-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is BSGRNJIOMXLJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-22-14-8-13-21(24-16-19-11-6-3-7-12-19)20(22)17-23-15-18-9-4-2-5-10-18/h2-13,20-21H,14-17H2,1H3.
What are the key properties of 1-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridine?
1-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 323.44 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 75583196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).