4-fluoro-1-formylpiperidine-2-carbonitrile

C7H9FN2O — CID 143240039

IUPAC4-fluoro-1-formylpiperidine-2-carbonitrile
SMILESN#CC1CC(F)CCN1C=O
InChIInChI=1S/C7H9FN2O/c8-6-1-2-10(5-11)7(3-6)4-9/h5-7H,1-3H2
InChIKeyACMDSNAWDXJZNR-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.47
Rot. Bonds1

About 4-fluoro-1-formylpiperidine-2-carbonitrile

4-fluoro-1-formylpiperidine-2-carbonitrile (PubChem CID 143240039) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 4-fluoro-1-formylpiperidine-2-carbonitrile.

Molecular Properties

Compound Name4-fluoro-1-formylpiperidine-2-carbonitrile
PubChem CID143240039
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name4-fluoro-1-formylpiperidine-2-carbonitrile
SMILESN#CC1CC(F)CCN1C=O
InChIInChI=1S/C7H9FN2O/c8-6-1-2-10(5-11)7(3-6)4-9/h5-7H,1-3H2
InChIKeyACMDSNAWDXJZNR-UHFFFAOYSA-N
XLogP0.47
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-fluoro-1-formylpiperidine-2-carbonitrile 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-formyl-4-propan-2-ylpyrrolidine-2-carbonitrile
CID 176610756
1-formylpyrrolidine-3-carbonitrile
CID 87315221
(2S,4S)-1-acetyl-4-fluoropyrrolidine-2-carbonitrile
CID 68785301
(3S)-3-fluoropyrrolidine-1-carbaldehyde
CID 118450648
(2S,4R)-1-(2-bromoacetyl)-4-fluoropyrrolidine-2-carbonitrile
CID 68787757
4-fluoro-1-(2-methylpropanoyl)pyrrolidine-2-carbonitrile
CID 89449467
(2R,4R)-1-(2-bromoacetyl)-4-fluoropyrrolidine-2-carbonitrile
CID 68785051
(2S,4R)-4-fluoro-1-(2-methylpropanoyl)pyrrolidine-2-carbonitrile
CID 177013008
[[(3R,6S)-6-cyano-1-formylpiperidin-3-yl]amino] hydrogen sulfate
CID 137349067
cis-(1R,2R)-1-(2-methoxypropyl)-1,2-dimethylcyclohexane;ethanamine;1-formylpyrrolidine-2-carbonitrile
CID 143550150
(2S,4S)-1-[(1S,2R)-2-aminocyclopentanecarbonyl]-4-fluoropyrrolidine-2-carbonitrile;hydrochloride
CID 69351569
1-[4-[(2S)-2-cyanopyrrolidin-1-yl]-4-oxobut-2-enoyl]pyrrolidine-2-carbonitrile
CID 91003836

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-formylpiperidine-2-carbonitrile?
The IUPAC name of 4-fluoro-1-formylpiperidine-2-carbonitrile (CID 143240039) is 4-fluoro-1-formylpiperidine-2-carbonitrile.
What is the SMILES notation for 4-fluoro-1-formylpiperidine-2-carbonitrile?
The canonical SMILES for 4-fluoro-1-formylpiperidine-2-carbonitrile is N#CC1CC(F)CCN1C=O.
What is the InChIKey of 4-fluoro-1-formylpiperidine-2-carbonitrile?
The InChIKey is ACMDSNAWDXJZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c8-6-1-2-10(5-11)7(3-6)4-9/h5-7H,1-3H2.
What are the key properties of 4-fluoro-1-formylpiperidine-2-carbonitrile?
4-fluoro-1-formylpiperidine-2-carbonitrile has a molecular weight of 156.16 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-formylpiperidine-2-carbonitrile is sourced from PubChem (CID 143240039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).