4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzaldehyde

C15H21NO3 — CID 114777267

IUPAC4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzaldehyde
SMILESCc1cc(N2CC(CO)OC(C)(C)C2)ccc1C=O
InChIInChI=1S/C15H21NO3/c1-11-6-13(5-4-12(11)8-17)16-7-14(9-18)19-15(2,3)10-16/h4-6,8,14,18H,7,9-10H2,1-3H3
InChIKeyUNLVFPZITVJYTG-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.78
Rot. Bonds3

About 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzaldehyde

4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzaldehyde (PubChem CID 114777267) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzaldehyde.

Molecular Properties

Compound Name4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzaldehyde
PubChem CID114777267
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzaldehyde
SMILESCc1cc(N2CC(CO)OC(C)(C)C2)ccc1C=O
InChIInChI=1S/C15H21NO3/c1-11-6-13(5-4-12(11)8-17)16-7-14(9-18)19-15(2,3)10-16/h4-6,8,14,18H,7,9-10H2,1-3H3
InChIKeyUNLVFPZITVJYTG-UHFFFAOYSA-N
XLogP1.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.78
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

2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-5-methylbenzaldehyde
CID 114054264
4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzenecarboximidamide
CID 114777104
6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-indole-2,3-dione
CID 114777203
4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile
CID 114776853
6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carbaldehyde
CID 114777262
2-(1-aminoethyl)-5-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenol
CID 114777220
[6,6-dimethyl-4-(6-nitro-3-pyridinyl)morpholin-2-yl]methanol
CID 114779409
4-amino-3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzamide
CID 114776221
4-chloro-6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrimidine-5-carbaldehyde
CID 114777268
2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzaldehyde
CID 66392125
[4-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 104969843
2-methyl-4-(3-methylideneazetidin-1-yl)benzaldehyde
CID 164651237

Frequently Asked Questions

What is the IUPAC name of 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzaldehyde?
The IUPAC name of 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzaldehyde (CID 114777267) is 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzaldehyde.
What is the SMILES notation for 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzaldehyde?
The canonical SMILES for 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzaldehyde is Cc1cc(N2CC(CO)OC(C)(C)C2)ccc1C=O.
What is the InChIKey of 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzaldehyde?
The InChIKey is UNLVFPZITVJYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-6-13(5-4-12(11)8-17)16-7-14(9-18)19-15(2,3)10-16/h4-6,8,14,18H,7,9-10H2,1-3H3.
What are the key properties of 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzaldehyde?
4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzaldehyde has a molecular weight of 263.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzaldehyde is sourced from PubChem (CID 114777267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).