3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methyl-2-phenylpropanal

C16H23NO3 — CID 102936299

IUPAC3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methyl-2-phenylpropanal
SMILESCC1CN(CC(C)(C=O)c2ccccc2)CC(CO)O1
InChIInChI=1S/C16H23NO3/c1-13-8-17(9-15(10-18)20-13)11-16(2,12-19)14-6-4-3-5-7-14/h3-7,12-13,15,18H,8-11H2,1-2H3
InChIKeyUVCYUVJVYLXOEG-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.22
Rot. Bonds5

About 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methyl-2-phenylpropanal

3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methyl-2-phenylpropanal (PubChem CID 102936299) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methyl-2-phenylpropanal.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methyl-2-phenylpropanal
PubChem CID102936299
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methyl-2-phenylpropanal
SMILESCC1CN(CC(C)(C=O)c2ccccc2)CC(CO)O1
InChIInChI=1S/C16H23NO3/c1-13-8-17(9-15(10-18)20-13)11-16(2,12-19)14-6-4-3-5-7-14/h3-7,12-13,15,18H,8-11H2,1-2H3
InChIKeyUVCYUVJVYLXOEG-UHFFFAOYSA-N
XLogP1.22
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Droxypropine
CID 208903
4-Piperidinecarboxaldehyde, 1-(2-hydroxyethyl)-4-phenyl-
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1-[4-(3-Ethoxy-2-hydroxypropyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 53609704
1-[4-(3-Ethoxy-2-hydroxypropyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 53610660
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CID 72933489
[4-(2-Methoxyethoxy)piperidino](1-phenylcyclopropyl)methanone
CID 91918271
[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-(4-phenylpiperidin-4-yl)methanone
CID 91784566
morpholine, N-(2-acetyl-2-phenyl)ethyl-
CID 23423768
(5R)-1-[2-(2-hydroxyethoxy)ethyl]-5-methyl-5-phenylpiperidin-2-one
CID 97109922
(2S)-4-(1-phenylcyclopentanecarbonyl)morpholine-2-carboxylic acid
CID 124627296
1-(4-Fluorophenyl)-4-[2-(hydroxymethyl)morpholin-4-yl]butan-2-one
CID 69842475

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methyl-2-phenylpropanal?
The IUPAC name of 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methyl-2-phenylpropanal (CID 102936299) is 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methyl-2-phenylpropanal.
What is the SMILES notation for 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methyl-2-phenylpropanal?
The canonical SMILES for 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methyl-2-phenylpropanal is CC1CN(CC(C)(C=O)c2ccccc2)CC(CO)O1.
What is the InChIKey of 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methyl-2-phenylpropanal?
The InChIKey is UVCYUVJVYLXOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-13-8-17(9-15(10-18)20-13)11-16(2,12-19)14-6-4-3-5-7-14/h3-7,12-13,15,18H,8-11H2,1-2H3.
What are the key properties of 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methyl-2-phenylpropanal?
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methyl-2-phenylpropanal has a molecular weight of 277.36 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methyl-2-phenylpropanal is sourced from PubChem (CID 102936299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).