3-(3,3-dimethylpiperidine-1-carbonyl)hexanal;methoxymethane

C16H31NO3 — CID 142297484

IUPAC3-(3,3-dimethylpiperidine-1-carbonyl)hexanal;methoxymethane
SMILESCCCC(CC=O)C(=O)N1CCCC(C)(C)C1.COC
InChIInChI=1S/C14H25NO2.C2H6O/c1-4-6-12(7-10-16)13(17)15-9-5-8-14(2,3)11-15;1-3-2/h10,12H,4-9,11H2,1-3H3;1-2H3
InChIKeyCYTQSHCVANULES-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.90
Rot. Bonds5

About 3-(3,3-dimethylpiperidine-1-carbonyl)hexanal;methoxymethane

3-(3,3-dimethylpiperidine-1-carbonyl)hexanal;methoxymethane (PubChem CID 142297484) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 3-(3,3-dimethylpiperidine-1-carbonyl)hexanal;methoxymethane.

Molecular Properties

Compound Name3-(3,3-dimethylpiperidine-1-carbonyl)hexanal;methoxymethane
PubChem CID142297484
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name3-(3,3-dimethylpiperidine-1-carbonyl)hexanal;methoxymethane
SMILESCCCC(CC=O)C(=O)N1CCCC(C)(C)C1.COC
InChIInChI=1S/C14H25NO2.C2H6O/c1-4-6-12(7-10-16)13(17)15-9-5-8-14(2,3)11-15;1-3-2/h10,12H,4-9,11H2,1-3H3;1-2H3
InChIKeyCYTQSHCVANULES-UHFFFAOYSA-N
XLogP2.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-1-(4,4-dimethylazepan-1-yl)pentan-1-one
CID 65281608
(2R)-2-[(3,3-dimethylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107567056
1-(azetidin-1-yl)-2-ethylpentan-1-one
CID 146417085
2-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-one
CID 107391572
1-(2-ethylbutanoyl)-3-methylpiperidine-3-carboxylic acid
CID 63133956
1-(3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281129
1-(3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119734708
2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pentan-1-one
CID 86784353
N-ethyl-3,3-dimethylpiperidine-1-carboxamide
CID 115624358
1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-1-one
CID 58688971
1-(3,3-dimethylpiperidin-1-yl)-2-(prop-2-enylamino)ethanone
CID 79280233
(2S)-1-(3,3-dimethylpiperidin-1-yl)-2-(3-methoxyphenoxy)butan-1-one
CID 28571684

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylpiperidine-1-carbonyl)hexanal;methoxymethane?
The IUPAC name of 3-(3,3-dimethylpiperidine-1-carbonyl)hexanal;methoxymethane (CID 142297484) is 3-(3,3-dimethylpiperidine-1-carbonyl)hexanal;methoxymethane.
What is the SMILES notation for 3-(3,3-dimethylpiperidine-1-carbonyl)hexanal;methoxymethane?
The canonical SMILES for 3-(3,3-dimethylpiperidine-1-carbonyl)hexanal;methoxymethane is CCCC(CC=O)C(=O)N1CCCC(C)(C)C1.COC.
What is the InChIKey of 3-(3,3-dimethylpiperidine-1-carbonyl)hexanal;methoxymethane?
The InChIKey is CYTQSHCVANULES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2.C2H6O/c1-4-6-12(7-10-16)13(17)15-9-5-8-14(2,3)11-15;1-3-2/h10,12H,4-9,11H2,1-3H3;1-2H3.
What are the key properties of 3-(3,3-dimethylpiperidine-1-carbonyl)hexanal;methoxymethane?
3-(3,3-dimethylpiperidine-1-carbonyl)hexanal;methoxymethane has a molecular weight of 285.43 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylpiperidine-1-carbonyl)hexanal;methoxymethane is sourced from PubChem (CID 142297484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).