4-(2-fluorobenzoyl)piperidine-1-carbaldehyde

C13H14FNO2 — CID 53415342

IUPAC4-(2-fluorobenzoyl)piperidine-1-carbaldehyde
SMILESO=CN1CCC(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C13H14FNO2/c14-12-4-2-1-3-11(12)13(17)10-5-7-15(9-16)8-6-10/h1-4,9-10H,5-8H2
InChIKeyUIPLSBJJOCILIQ-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.88
Rot. Bonds3

About 4-(2-fluorobenzoyl)piperidine-1-carbaldehyde

4-(2-fluorobenzoyl)piperidine-1-carbaldehyde (PubChem CID 53415342) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 4-(2-fluorobenzoyl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-(2-fluorobenzoyl)piperidine-1-carbaldehyde
PubChem CID53415342
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name4-(2-fluorobenzoyl)piperidine-1-carbaldehyde
SMILESO=CN1CCC(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C13H14FNO2/c14-12-4-2-1-3-11(12)13(17)10-5-7-15(9-16)8-6-10/h1-4,9-10H,5-8H2
InChIKeyUIPLSBJJOCILIQ-UHFFFAOYSA-N
XLogP1.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclopropyl-(2-fluorophenyl)methanone
CID 22750154
4-(2-fluorophenyl)piperidine-1-carbaldehyde
CID 87956080
(2-fluorophenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171950940
2-bicyclo[2.2.1]heptanyl-(2-fluorophenyl)methanone
CID 12768266
[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-(2-fluorophenyl)methanone
CID 99719002
(3S)-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 129368662
2-(2-fluorobenzoyl)cyclopentane-1,3-dione
CID 125483362
2-(1-methylpiperidine-4-carbonyl)benzoic acid
CID 116836422
cyclopropyl-(2-hydroxyphenyl)methanone
CID 14638095
1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 141330450
1-[4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 33464627
2-(cyclopropanecarbonyl)-6-fluorobenzonitrile
CID 130136989

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorobenzoyl)piperidine-1-carbaldehyde?
The IUPAC name of 4-(2-fluorobenzoyl)piperidine-1-carbaldehyde (CID 53415342) is 4-(2-fluorobenzoyl)piperidine-1-carbaldehyde.
What is the SMILES notation for 4-(2-fluorobenzoyl)piperidine-1-carbaldehyde?
The canonical SMILES for 4-(2-fluorobenzoyl)piperidine-1-carbaldehyde is O=CN1CCC(C(=O)c2ccccc2F)CC1.
What is the InChIKey of 4-(2-fluorobenzoyl)piperidine-1-carbaldehyde?
The InChIKey is UIPLSBJJOCILIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c14-12-4-2-1-3-11(12)13(17)10-5-7-15(9-16)8-6-10/h1-4,9-10H,5-8H2.
What are the key properties of 4-(2-fluorobenzoyl)piperidine-1-carbaldehyde?
4-(2-fluorobenzoyl)piperidine-1-carbaldehyde has a molecular weight of 235.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorobenzoyl)piperidine-1-carbaldehyde is sourced from PubChem (CID 53415342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).