1-(2-Fluoro-2-methylpropyl)piperidine-4-carbaldehyde

C10H18FNO — CID 166702246

IUPAC1-(2-fluoro-2-methylpropyl)piperidine-4-carbaldehyde
SMILESCC(C)(CN1CCC(CC1)C=O)F
InChIInChI=1S/C10H18FNO/c1-10(2,11)8-12-5-3-9(7-13)4-6-12/h7,9H,3-6,8H2,1-2H3
InChIKeyOGLVMEYNFKGWEG-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.20
Rot. Bonds3

About 1-(2-Fluoro-2-methylpropyl)piperidine-4-carbaldehyde

1-(2-Fluoro-2-methylpropyl)piperidine-4-carbaldehyde (PubChem CID 166702246) has the molecular formula C10H18FNO and a molecular weight of 187.25 g/mol. Its IUPAC name is 1-(2-fluoro-2-methylpropyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(2-Fluoro-2-methylpropyl)piperidine-4-carbaldehyde
PubChem CID166702246
Molecular FormulaC10H18FNO
Molecular Weight187.25 g/mol
Exact Mass187.14
IUPAC Name1-(2-fluoro-2-methylpropyl)piperidine-4-carbaldehyde
SMILESCC(C)(CN1CCC(CC1)C=O)F
InChIInChI=1S/C10H18FNO/c1-10(2,11)8-12-5-3-9(7-13)4-6-12/h7,9H,3-6,8H2,1-2H3
InChIKeyOGLVMEYNFKGWEG-UHFFFAOYSA-N
XLogP1.20
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity174

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.20
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-Methylpiperidin-4-yl)acetaldehyde
CID 21666286
1-(2-Methoxyethyl)piperidine-4-carbaldehyde
CID 17893954
1-Ethylpiperidine-4-carbaldehyde
CID 20613249
1-Cyclopentylpiperidine-4-carbaldehyde
CID 57588924
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-Cyclobutyl-4-piperidinecarboxaldehyde
CID 84765312
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-Fluoro-2-methylpropyl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(2-Fluoro-2-methylpropyl)piperidine-4-carbaldehyde (CID 166702246) is 1-(2-fluoro-2-methylpropyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(2-Fluoro-2-methylpropyl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(2-Fluoro-2-methylpropyl)piperidine-4-carbaldehyde is CC(C)(CN1CCC(CC1)C=O)F.
What is the InChIKey of 1-(2-Fluoro-2-methylpropyl)piperidine-4-carbaldehyde?
The InChIKey is OGLVMEYNFKGWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-10(2,11)8-12-5-3-9(7-13)4-6-12/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 1-(2-Fluoro-2-methylpropyl)piperidine-4-carbaldehyde?
1-(2-Fluoro-2-methylpropyl)piperidine-4-carbaldehyde has a molecular weight of 187.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-Fluoro-2-methylpropyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 166702246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).