5-(hydroxymethyl)-4-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]-2-methylpyridin-3-ol

C21H27N3O4 — CID 135828702

IUPAC5-(hydroxymethyl)-4-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]-2-methylpyridin-3-ol
SMILESCOc1ccc([C@@H](C/N=C/c2c(CO)cnc(C)c2O)N2CCOCC2)cc1
InChIInChI=1S/C21H27N3O4/c1-15-21(26)19(17(14-25)11-23-15)12-22-13-20(24-7-9-28-10-8-24)16-3-5-18(27-2)6-4-16/h3-6,11-12,20,25-26H,7-10,13-14H2,1-2H3/b22-12+/t20-/m1/s1
InChIKeyZPLMOLVQUVWKMN-XLKWYTADSA-N
MW385.46 g/mol
LogP2.09
Rot. Bonds7

About 5-(hydroxymethyl)-4-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]-2-methylpyridin-3-ol

5-(hydroxymethyl)-4-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]-2-methylpyridin-3-ol (PubChem CID 135828702) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]-2-methylpyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]-2-methylpyridin-3-ol
PubChem CID135828702
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name5-(hydroxymethyl)-4-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]-2-methylpyridin-3-ol
SMILESCOc1ccc([C@@H](C/N=C/c2c(CO)cnc(C)c2O)N2CCOCC2)cc1
InChIInChI=1S/C21H27N3O4/c1-15-21(26)19(17(14-25)11-23-15)12-22-13-20(24-7-9-28-10-8-24)16-3-5-18(27-2)6-4-16/h3-6,11-12,20,25-26H,7-10,13-14H2,1-2H3/b22-12+/t20-/m1/s1
InChIKeyZPLMOLVQUVWKMN-XLKWYTADSA-N
XLogP2.09
TPSA87.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-(hydroxymethyl)-4-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]-2-methylpyridin-3-ol with MolForge

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Related Compounds

5-(hydroxymethyl)-4-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]-2-methylpyridin-3-ol
CID 135828813
4-methoxy-2-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol
CID 135596201
4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol
CID 135596199
4-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 135828717
1,3-diethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
CID 102555662
3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 64527154
(3R)-3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 8022836
2-ethoxy-6-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol
CID 135597885
2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine;oxalic acid
CID 171156320
N-ethyl-N'-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide
CID 110956160
4-(4-methoxyphenyl)-4-morpholin-4-ylbutan-1-amine
CID 112501198
2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 31405313

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]-2-methylpyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-4-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]-2-methylpyridin-3-ol (CID 135828702) is 5-(hydroxymethyl)-4-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]-2-methylpyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-4-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]-2-methylpyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-4-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]-2-methylpyridin-3-ol is COc1ccc([C@@H](C/N=C/c2c(CO)cnc(C)c2O)N2CCOCC2)cc1.
What is the InChIKey of 5-(hydroxymethyl)-4-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]-2-methylpyridin-3-ol?
The InChIKey is ZPLMOLVQUVWKMN-XLKWYTADSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-15-21(26)19(17(14-25)11-23-15)12-22-13-20(24-7-9-28-10-8-24)16-3-5-18(27-2)6-4-16/h3-6,11-12,20,25-26H,7-10,13-14H2,1-2H3/b22-12+/t20-/m1/s1.
What are the key properties of 5-(hydroxymethyl)-4-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]-2-methylpyridin-3-ol?
5-(hydroxymethyl)-4-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]-2-methylpyridin-3-ol has a molecular weight of 385.46 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]-2-methylpyridin-3-ol is sourced from PubChem (CID 135828702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).