6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carbaldehyde

C13H18N2O3 — CID 114777262

IUPAC6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carbaldehyde
SMILESCC1(C)CN(c2ccc(C=O)cn2)CC(CO)O1
InChIInChI=1S/C13H18N2O3/c1-13(2)9-15(6-11(8-17)18-13)12-4-3-10(7-16)5-14-12/h3-5,7,11,17H,6,8-9H2,1-2H3
InChIKeyPZECWDUEEWSDBW-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.87
Rot. Bonds3

About 6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carbaldehyde

6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carbaldehyde (PubChem CID 114777262) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carbaldehyde
PubChem CID114777262
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carbaldehyde
SMILESCC1(C)CN(c2ccc(C=O)cn2)CC(CO)O1
InChIInChI=1S/C13H18N2O3/c1-13(2)9-15(6-11(8-17)18-13)12-4-3-10(7-16)5-14-12/h3-5,7,11,17H,6,8-9H2,1-2H3
InChIKeyPZECWDUEEWSDBW-UHFFFAOYSA-N
XLogP0.87
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methylbenzaldehyde
CID 114777267
4-chloro-6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrimidine-5-carbaldehyde
CID 114777268
4-(5-tert-butyl-2-pyridinyl)-6-(chloromethyl)-2,2-dimethylmorpholine
CID 107875644
[4-[4-[(1R)-1-aminoethyl]-2-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 104969828
[4-[4-[(1S)-1-aminoethyl]-2-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 104969852
[4-(6-aminoquinolin-2-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776187
6-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-N,N-dimethylpyridine-3-carboxamide
CID 128977424
[6,6-dimethyl-4-(1-methylimidazol-2-yl)morpholin-2-yl]methanol
CID 114779352
[6,6-dimethyl-4-(6-nitro-3-pyridinyl)morpholin-2-yl]methanol
CID 114779409
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid
CID 114777180
[6,6-dimethyl-4-(3-methylsulfonyl-2-pyridinyl)morpholin-2-yl]methanol
CID 114779341

Frequently Asked Questions

What is the IUPAC name of 6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carbaldehyde?
The IUPAC name of 6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carbaldehyde (CID 114777262) is 6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carbaldehyde is CC1(C)CN(c2ccc(C=O)cn2)CC(CO)O1.
What is the InChIKey of 6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carbaldehyde?
The InChIKey is PZECWDUEEWSDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(2)9-15(6-11(8-17)18-13)12-4-3-10(7-16)5-14-12/h3-5,7,11,17H,6,8-9H2,1-2H3.
What are the key properties of 6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carbaldehyde?
6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carbaldehyde has a molecular weight of 250.30 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carbaldehyde is sourced from PubChem (CID 114777262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).