1-(3,3-dimethylbutanoyl)-4-fluoropiperidine-4-carbaldehyde

C12H20FNO2 — CID 138711510

IUPAC1-(3,3-dimethylbutanoyl)-4-fluoropiperidine-4-carbaldehyde
SMILESCC(C)(C)CC(=O)N1CCC(F)(C=O)CC1
InChIInChI=1S/C12H20FNO2/c1-11(2,3)8-10(16)14-6-4-12(13,9-15)5-7-14/h9H,4-8H2,1-3H3
InChIKeySWJUEDWAEPSXJA-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.95
Rot. Bonds2

About 1-(3,3-dimethylbutanoyl)-4-fluoropiperidine-4-carbaldehyde

1-(3,3-dimethylbutanoyl)-4-fluoropiperidine-4-carbaldehyde (PubChem CID 138711510) has the molecular formula C12H20FNO2 and a molecular weight of 229.29 g/mol. Its IUPAC name is 1-(3,3-dimethylbutanoyl)-4-fluoropiperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(3,3-dimethylbutanoyl)-4-fluoropiperidine-4-carbaldehyde
PubChem CID138711510
Molecular FormulaC12H20FNO2
Molecular Weight229.29 g/mol
Exact Mass229.15
IUPAC Name1-(3,3-dimethylbutanoyl)-4-fluoropiperidine-4-carbaldehyde
SMILESCC(C)(C)CC(=O)N1CCC(F)(C=O)CC1
InChIInChI=1S/C12H20FNO2/c1-11(2,3)8-10(16)14-6-4-12(13,9-15)5-7-14/h9H,4-8H2,1-3H3
InChIKeySWJUEDWAEPSXJA-UHFFFAOYSA-N
XLogP1.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutanoyl)-4-fluoropiperidine-4-carbaldehyde?
The IUPAC name of 1-(3,3-dimethylbutanoyl)-4-fluoropiperidine-4-carbaldehyde (CID 138711510) is 1-(3,3-dimethylbutanoyl)-4-fluoropiperidine-4-carbaldehyde.
What is the SMILES notation for 1-(3,3-dimethylbutanoyl)-4-fluoropiperidine-4-carbaldehyde?
The canonical SMILES for 1-(3,3-dimethylbutanoyl)-4-fluoropiperidine-4-carbaldehyde is CC(C)(C)CC(=O)N1CCC(F)(C=O)CC1.
What is the InChIKey of 1-(3,3-dimethylbutanoyl)-4-fluoropiperidine-4-carbaldehyde?
The InChIKey is SWJUEDWAEPSXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO2/c1-11(2,3)8-10(16)14-6-4-12(13,9-15)5-7-14/h9H,4-8H2,1-3H3.
What are the key properties of 1-(3,3-dimethylbutanoyl)-4-fluoropiperidine-4-carbaldehyde?
1-(3,3-dimethylbutanoyl)-4-fluoropiperidine-4-carbaldehyde has a molecular weight of 229.29 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutanoyl)-4-fluoropiperidine-4-carbaldehyde is sourced from PubChem (CID 138711510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).