2-(3-oxopropyl)piperidine-1-carbaldehyde

C9H15NO2 — CID 88835293

IUPAC2-(3-oxopropyl)piperidine-1-carbaldehyde
SMILESO=CCCC1CCCCN1C=O
InChIInChI=1S/C9H15NO2/c11-7-3-5-9-4-1-2-6-10(9)8-12/h7-9H,1-6H2
InChIKeyATCMFIHCKLCTCC-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.98
Rot. Bonds4

About 2-(3-oxopropyl)piperidine-1-carbaldehyde

2-(3-oxopropyl)piperidine-1-carbaldehyde (PubChem CID 88835293) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-(3-oxopropyl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name2-(3-oxopropyl)piperidine-1-carbaldehyde
PubChem CID88835293
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-(3-oxopropyl)piperidine-1-carbaldehyde
SMILESO=CCCC1CCCCN1C=O
InChIInChI=1S/C9H15NO2/c11-7-3-5-9-4-1-2-6-10(9)8-12/h7-9H,1-6H2
InChIKeyATCMFIHCKLCTCC-UHFFFAOYSA-N
XLogP0.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1-formylpyrrolidin-2-yl)ethyl]pyrrolidine-1-carbaldehyde
CID 142690055
2-(pyrrolidin-1-ylmethyl)piperidine-1-carbaldehyde
CID 88926703
2-(2-oxopropyl)azepane-1-carbaldehyde
CID 13117688
(2R)-2-ethylpyrrolidine-1-carbaldehyde
CID 59526694
2-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carbaldehyde
CID 87628416
2-(2-piperazin-1-ylethyl)pyrrolidine-1-carbaldehyde
CID 82508373
2-ethoxypiperidine-1-carbaldehyde
CID 87544079
(2S)-1-formylpiperidine-2-carboxylic acid
CID 65439701
2-[(E)-3-amino-2-(methylamino)-4-oxobut-2-enyl]pyrrolidine-1-carbaldehyde
CID 144905964
2-ethoxyazepane-1-carbaldehyde
CID 23330124
2-(2-propylpiperidin-1-yl)acetaldehyde
CID 83056562
3-(1-methylpiperidin-3-yl)propanal
CID 83905184

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxopropyl)piperidine-1-carbaldehyde?
The IUPAC name of 2-(3-oxopropyl)piperidine-1-carbaldehyde (CID 88835293) is 2-(3-oxopropyl)piperidine-1-carbaldehyde.
What is the SMILES notation for 2-(3-oxopropyl)piperidine-1-carbaldehyde?
The canonical SMILES for 2-(3-oxopropyl)piperidine-1-carbaldehyde is O=CCCC1CCCCN1C=O.
What is the InChIKey of 2-(3-oxopropyl)piperidine-1-carbaldehyde?
The InChIKey is ATCMFIHCKLCTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c11-7-3-5-9-4-1-2-6-10(9)8-12/h7-9H,1-6H2.
What are the key properties of 2-(3-oxopropyl)piperidine-1-carbaldehyde?
2-(3-oxopropyl)piperidine-1-carbaldehyde has a molecular weight of 169.22 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxopropyl)piperidine-1-carbaldehyde is sourced from PubChem (CID 88835293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).