2-[6-(2-oxoethyl)piperidin-2-yl]acetaldehyde

C9H15NO2 — CID 91076275

IUPAC2-[6-(2-oxoethyl)piperidin-2-yl]acetaldehyde
SMILESO=CCC1CCCC(CC=O)N1
InChIInChI=1S/C9H15NO2/c11-6-4-8-2-1-3-9(10-8)5-7-12/h6-10H,1-5H2
InChIKeySAEZJLMQCSDHBN-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.68
Rot. Bonds4

About 2-[6-(2-oxoethyl)piperidin-2-yl]acetaldehyde

2-[6-(2-oxoethyl)piperidin-2-yl]acetaldehyde (PubChem CID 91076275) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-[6-(2-oxoethyl)piperidin-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[6-(2-oxoethyl)piperidin-2-yl]acetaldehyde
PubChem CID91076275
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-[6-(2-oxoethyl)piperidin-2-yl]acetaldehyde
SMILESO=CCC1CCCC(CC=O)N1
InChIInChI=1S/C9H15NO2/c11-6-4-8-2-1-3-9(10-8)5-7-12/h6-10H,1-5H2
InChIKeySAEZJLMQCSDHBN-UHFFFAOYSA-N
XLogP0.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,6R)-2,6-bis(prop-2-enyl)piperidine
CID 12967356
tert-butyl formate;2-piperidin-2-ylacetaldehyde
CID 174623729
2-[(7S)-6-azaspiro[3.4]octan-7-yl]acetaldehyde
CID 175908711
ethane;2-[(2R)-2-methylcyclopentyl]acetaldehyde
CID 143647546
2-(8-bicyclo[5.1.0]octanyl)acetaldehyde
CID 84649680
2-piperidin-4-ylacetaldehyde
CID 23401441
2-[2-(1,3-dioxan-2-yl)ethyl]-6-prop-2-enylpiperidine
CID 57372841
2-cyclopentylacetaldehyde;2-cyclopentylethanol
CID 158462189
(2S,6R)-2,6-bis(pent-4-enyl)piperidine
CID 14680292
2-(4-methyl-6-oxopiperidin-2-yl)acetaldehyde
CID 78156492
2-(2-methylprop-1-enyl)-6-prop-2-enylpiperidine
CID 53441635
2-[(6R)-6-phenacylpiperidin-2-yl]-1-phenylethanone
CID 59710006

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-oxoethyl)piperidin-2-yl]acetaldehyde?
The IUPAC name of 2-[6-(2-oxoethyl)piperidin-2-yl]acetaldehyde (CID 91076275) is 2-[6-(2-oxoethyl)piperidin-2-yl]acetaldehyde.
What is the SMILES notation for 2-[6-(2-oxoethyl)piperidin-2-yl]acetaldehyde?
The canonical SMILES for 2-[6-(2-oxoethyl)piperidin-2-yl]acetaldehyde is O=CCC1CCCC(CC=O)N1.
What is the InChIKey of 2-[6-(2-oxoethyl)piperidin-2-yl]acetaldehyde?
The InChIKey is SAEZJLMQCSDHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c11-6-4-8-2-1-3-9(10-8)5-7-12/h6-10H,1-5H2.
What are the key properties of 2-[6-(2-oxoethyl)piperidin-2-yl]acetaldehyde?
2-[6-(2-oxoethyl)piperidin-2-yl]acetaldehyde has a molecular weight of 169.22 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-oxoethyl)piperidin-2-yl]acetaldehyde is sourced from PubChem (CID 91076275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).