1-(2,2-Dimethylpropyl)-4-fluoropiperidine-4-carbaldehyde

C11H20FNO — CID 166702433

IUPAC1-(2,2-dimethylpropyl)-4-fluoropiperidine-4-carbaldehyde
SMILESCC(C)(C)CN1CCC(CC1)(C=O)F
InChIInChI=1S/C11H20FNO/c1-10(2,3)8-13-6-4-11(12,9-14)5-7-13/h9H,4-8H2,1-3H3
InChIKeyKKQMRQKMRGSFPE-UHFFFAOYSA-N
MW201.28 g/mol
LogP2.20
Rot. Bonds3

About 1-(2,2-Dimethylpropyl)-4-fluoropiperidine-4-carbaldehyde

1-(2,2-Dimethylpropyl)-4-fluoropiperidine-4-carbaldehyde (PubChem CID 166702433) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-fluoropiperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(2,2-Dimethylpropyl)-4-fluoropiperidine-4-carbaldehyde
PubChem CID166702433
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name1-(2,2-dimethylpropyl)-4-fluoropiperidine-4-carbaldehyde
SMILESCC(C)(C)CN1CCC(CC1)(C=O)F
InChIInChI=1S/C11H20FNO/c1-10(2,3)8-13-6-4-11(12,9-14)5-7-13/h9H,4-8H2,1-3H3
InChIKeyKKQMRQKMRGSFPE-UHFFFAOYSA-N
XLogP2.20
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity202

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Methylpiperidine-4-carbaldehyde
CID 12535228
1-Ethylpiperidine-4-carbaldehyde
CID 20613249
1-(2,2-Dimethylpropyl)piperidine-4-carbaldehyde
CID 59337716
1-(2-Methylpropyl)piperidine-4-carbaldehyde
CID 62655908
1-(Cyclopropylmethyl)piperidine-4-carbaldehyde
CID 62656102
1-[2-(Diethylamino)ethyl]piperidine-4-carbaldehyde
CID 62654444
1-[2-(Dimethylamino)ethyl]piperidine-4-carbaldehyde
CID 62655186
1-(Cyclobutylmethyl)piperidine-4-carbaldehyde
CID 65461855
1-(Pentan-3-yl)piperidine-4-carbaldehyde
CID 80098853
1-(2,2,2-Trifluoroethyl)piperidine-4-carbaldehyde
CID 62654280
1-(Difluoromethyl)piperidine-4-carbaldehyde
CID 62656642
1-(3,3,3-Trifluoropropyl)piperidine-4-carbaldehyde
CID 64566362

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-Dimethylpropyl)-4-fluoropiperidine-4-carbaldehyde?
The IUPAC name of 1-(2,2-Dimethylpropyl)-4-fluoropiperidine-4-carbaldehyde (CID 166702433) is 1-(2,2-dimethylpropyl)-4-fluoropiperidine-4-carbaldehyde.
What is the SMILES notation for 1-(2,2-Dimethylpropyl)-4-fluoropiperidine-4-carbaldehyde?
The canonical SMILES for 1-(2,2-Dimethylpropyl)-4-fluoropiperidine-4-carbaldehyde is CC(C)(C)CN1CCC(CC1)(C=O)F.
What is the InChIKey of 1-(2,2-Dimethylpropyl)-4-fluoropiperidine-4-carbaldehyde?
The InChIKey is KKQMRQKMRGSFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c1-10(2,3)8-13-6-4-11(12,9-14)5-7-13/h9H,4-8H2,1-3H3.
What are the key properties of 1-(2,2-Dimethylpropyl)-4-fluoropiperidine-4-carbaldehyde?
1-(2,2-Dimethylpropyl)-4-fluoropiperidine-4-carbaldehyde has a molecular weight of 201.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-Dimethylpropyl)-4-fluoropiperidine-4-carbaldehyde is sourced from PubChem (CID 166702433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).