1-[[2-(hydroxymethyl)morpholin-4-yl]methyl]cyclohexane-1-carbaldehyde

C13H23NO3 — CID 81212922

IUPAC1-[[2-(hydroxymethyl)morpholin-4-yl]methyl]cyclohexane-1-carbaldehyde
SMILESO=CC1(CN2CCOC(CO)C2)CCCCC1
InChIInChI=1S/C13H23NO3/c15-9-12-8-14(6-7-17-12)10-13(11-16)4-2-1-3-5-13/h11-12,15H,1-10H2
InChIKeyUBNZLMCUHDQGPU-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.83
Rot. Bonds4

About 1-[[2-(hydroxymethyl)morpholin-4-yl]methyl]cyclohexane-1-carbaldehyde

1-[[2-(hydroxymethyl)morpholin-4-yl]methyl]cyclohexane-1-carbaldehyde (PubChem CID 81212922) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[[2-(hydroxymethyl)morpholin-4-yl]methyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[2-(hydroxymethyl)morpholin-4-yl]methyl]cyclohexane-1-carbaldehyde
PubChem CID81212922
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-[[2-(hydroxymethyl)morpholin-4-yl]methyl]cyclohexane-1-carbaldehyde
SMILESO=CC1(CN2CCOC(CO)C2)CCCCC1
InChIInChI=1S/C13H23NO3/c15-9-12-8-14(6-7-17-12)10-13(11-16)4-2-1-3-5-13/h11-12,15H,1-10H2
InChIKeyUBNZLMCUHDQGPU-UHFFFAOYSA-N
XLogP0.83
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.83
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

1-[(2-methylmorpholin-4-yl)methyl]cyclohexane-1-carbaldehyde
CID 62276743
[4-[[1-(hydroxymethyl)cyclopentyl]methyl]morpholin-2-yl]methanol
CID 81212944
1-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]cycloheptane-1-carbaldehyde
CID 112628845
4-[(2-ethylmorpholin-4-yl)methyl]oxane-4-carbaldehyde
CID 55066133
[4-[[1-(propylaminomethyl)cycloheptyl]methyl]morpholin-2-yl]methanol
CID 81213477
[4-[[4-(hydroxymethyl)oxan-4-yl]methyl]morpholin-2-yl]methanol
CID 81214239
1-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]cyclohexane-1-carbaldehyde
CID 114800018
1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carbaldehyde
CID 62278259
[4-[(4-methyloxan-4-yl)methyl]morpholin-2-yl]methanol
CID 104585572
1-[[2-(aminomethyl)morpholin-4-yl]methyl]cyclohexan-1-ol
CID 114398634
1-(azepan-1-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 79833113
[4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholin-2-yl]methanol
CID 81218739

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(hydroxymethyl)morpholin-4-yl]methyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 1-[[2-(hydroxymethyl)morpholin-4-yl]methyl]cyclohexane-1-carbaldehyde (CID 81212922) is 1-[[2-(hydroxymethyl)morpholin-4-yl]methyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-[[2-(hydroxymethyl)morpholin-4-yl]methyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-[[2-(hydroxymethyl)morpholin-4-yl]methyl]cyclohexane-1-carbaldehyde is O=CC1(CN2CCOC(CO)C2)CCCCC1.
What is the InChIKey of 1-[[2-(hydroxymethyl)morpholin-4-yl]methyl]cyclohexane-1-carbaldehyde?
The InChIKey is UBNZLMCUHDQGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c15-9-12-8-14(6-7-17-12)10-13(11-16)4-2-1-3-5-13/h11-12,15H,1-10H2.
What are the key properties of 1-[[2-(hydroxymethyl)morpholin-4-yl]methyl]cyclohexane-1-carbaldehyde?
1-[[2-(hydroxymethyl)morpholin-4-yl]methyl]cyclohexane-1-carbaldehyde has a molecular weight of 241.33 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(hydroxymethyl)morpholin-4-yl]methyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 81212922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).