2-[1-(3,3-dimethylbutanoyl)piperidin-2-yl]acetaldehyde

C13H23NO2 — CID 23560591

IUPAC2-[1-(3,3-dimethylbutanoyl)piperidin-2-yl]acetaldehyde
SMILESCC(C)(C)CC(=O)N1CCCCC1CC=O
InChIInChI=1S/C13H23NO2/c1-13(2,3)10-12(16)14-8-5-4-6-11(14)7-9-15/h9,11H,4-8,10H2,1-3H3
InChIKeyWWLFLQFPKVVDPD-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.39
Rot. Bonds3

About 2-[1-(3,3-dimethylbutanoyl)piperidin-2-yl]acetaldehyde

2-[1-(3,3-dimethylbutanoyl)piperidin-2-yl]acetaldehyde (PubChem CID 23560591) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[1-(3,3-dimethylbutanoyl)piperidin-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[1-(3,3-dimethylbutanoyl)piperidin-2-yl]acetaldehyde
PubChem CID23560591
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-[1-(3,3-dimethylbutanoyl)piperidin-2-yl]acetaldehyde
SMILESCC(C)(C)CC(=O)N1CCCCC1CC=O
InChIInChI=1S/C13H23NO2/c1-13(2,3)10-12(16)14-8-5-4-6-11(14)7-9-15/h9,11H,4-8,10H2,1-3H3
InChIKeyWWLFLQFPKVVDPD-UHFFFAOYSA-N
XLogP2.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-(3,3-dimethylbutanoyl)piperidin-2-yl]acetaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3-dimethylbutanoyl)piperidin-2-yl]acetaldehyde?
The IUPAC name of 2-[1-(3,3-dimethylbutanoyl)piperidin-2-yl]acetaldehyde (CID 23560591) is 2-[1-(3,3-dimethylbutanoyl)piperidin-2-yl]acetaldehyde.
What is the SMILES notation for 2-[1-(3,3-dimethylbutanoyl)piperidin-2-yl]acetaldehyde?
The canonical SMILES for 2-[1-(3,3-dimethylbutanoyl)piperidin-2-yl]acetaldehyde is CC(C)(C)CC(=O)N1CCCCC1CC=O.
What is the InChIKey of 2-[1-(3,3-dimethylbutanoyl)piperidin-2-yl]acetaldehyde?
The InChIKey is WWLFLQFPKVVDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(2,3)10-12(16)14-8-5-4-6-11(14)7-9-15/h9,11H,4-8,10H2,1-3H3.
What are the key properties of 2-[1-(3,3-dimethylbutanoyl)piperidin-2-yl]acetaldehyde?
2-[1-(3,3-dimethylbutanoyl)piperidin-2-yl]acetaldehyde has a molecular weight of 225.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3-dimethylbutanoyl)piperidin-2-yl]acetaldehyde is sourced from PubChem (CID 23560591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).