1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carbaldehyde

C15H26N2O2 — CID 62654051

IUPAC1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carbaldehyde
SMILESCC1CCCC(C)N1C(=O)CN1CCCCC1C=O
InChIInChI=1S/C15H26N2O2/c1-12-6-5-7-13(2)17(12)15(19)10-16-9-4-3-8-14(16)11-18/h11-14H,3-10H2,1-2H3
InChIKeyNQYDYUHGIFZECO-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.83
Rot. Bonds3

About 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carbaldehyde

1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carbaldehyde (PubChem CID 62654051) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carbaldehyde
PubChem CID62654051
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carbaldehyde
SMILESCC1CCCC(C)N1C(=O)CN1CCCCC1C=O
InChIInChI=1S/C15H26N2O2/c1-12-6-5-7-13(2)17(12)15(19)10-16-9-4-3-8-14(16)11-18/h11-14H,3-10H2,1-2H3
InChIKeyNQYDYUHGIFZECO-UHFFFAOYSA-N
XLogP1.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carbaldehyde
CID 62655699
1-(2-morpholin-4-yl-2-oxoethyl)piperidine-2-carbaldehyde
CID 55100024
1-(2,6-dimethylpiperidin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81490562
1-(2,6-dimethylpiperidin-1-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102787968
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119926190
N-ethyl-2-(2-formylpiperidin-1-yl)acetamide
CID 62655143
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one
CID 103715004
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-piperazin-1-ylethanone
CID 29008935
2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 39996942
1-hexylpiperidine-2-carbaldehyde
CID 62655866
1-heptylpiperidine-2-carbaldehyde
CID 62655864
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-methoxypiperidin-1-yl)ethanone
CID 94513032

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carbaldehyde?
The IUPAC name of 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carbaldehyde (CID 62654051) is 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carbaldehyde.
What is the SMILES notation for 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carbaldehyde?
The canonical SMILES for 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carbaldehyde is CC1CCCC(C)N1C(=O)CN1CCCCC1C=O.
What is the InChIKey of 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carbaldehyde?
The InChIKey is NQYDYUHGIFZECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-12-6-5-7-13(2)17(12)15(19)10-16-9-4-3-8-14(16)11-18/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carbaldehyde?
1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carbaldehyde has a molecular weight of 266.38 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carbaldehyde is sourced from PubChem (CID 62654051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).