4-(4-fluorophenyl)-2-oxopiperidine-3-carbaldehyde

C12H12FNO2 — CID 54461508

IUPAC4-(4-fluorophenyl)-2-oxopiperidine-3-carbaldehyde
SMILESO=CC1C(=O)NCCC1c1ccc(F)cc1
InChIInChI=1S/C12H12FNO2/c13-9-3-1-8(2-4-9)10-5-6-14-12(16)11(10)7-15/h1-4,7,10-11H,5-6H2,(H,14,16)
InChIKeyXBXYSVNWBRSIGG-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.24
Rot. Bonds2

About 4-(4-fluorophenyl)-2-oxopiperidine-3-carbaldehyde

4-(4-fluorophenyl)-2-oxopiperidine-3-carbaldehyde (PubChem CID 54461508) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-oxopiperidine-3-carbaldehyde.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-oxopiperidine-3-carbaldehyde
PubChem CID54461508
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name4-(4-fluorophenyl)-2-oxopiperidine-3-carbaldehyde
SMILESO=CC1C(=O)NCCC1c1ccc(F)cc1
InChIInChI=1S/C12H12FNO2/c13-9-3-1-8(2-4-9)10-5-6-14-12(16)11(10)7-15/h1-4,7,10-11H,5-6H2,(H,14,16)
InChIKeyXBXYSVNWBRSIGG-UHFFFAOYSA-N
XLogP1.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-4-(4-fluorophenyl)-N-(2-methylphenyl)-2-oxopiperidine-3-carboxamide
CID 165061569
[3-(4-fluorophenyl)pyrrolidin-2-yl]methyl 2,2-dimethylpropanoate
CID 174553304
6-(4-fluorophenyl)-1-methyl-1,3-diazinan-2-one
CID 86649305
cis-(5S,6R)-5,6-bis(4-fluorophenyl)cycloheptane-1,3-dione
CID 102257485
(3S,4R)-4-(4-methylphenyl)-3-phenylpiperidin-2-one
CID 3065195
(3R,4R)-3-(4-methylphenyl)-4-phenylpiperidin-2-one
CID 14913239
3-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-one
CID 102622038
4-(4-chloro-3-phosphanylphenyl)-3-fluoropiperidin-2-one
CID 176969191
(2S,3S)-3-(4-fluorophenyl)-2-formylpyrrolidine-1-carboxylic acid
CID 118089137
(3S,4R)-4-(4-methoxyphenyl)-2-oxopiperidine-3-carboxylic acid
CID 140888273
N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 127263481
3-(2-amino-5-fluorophenoxy)pyrrolidin-2-one
CID 117095532

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-oxopiperidine-3-carbaldehyde?
The IUPAC name of 4-(4-fluorophenyl)-2-oxopiperidine-3-carbaldehyde (CID 54461508) is 4-(4-fluorophenyl)-2-oxopiperidine-3-carbaldehyde.
What is the SMILES notation for 4-(4-fluorophenyl)-2-oxopiperidine-3-carbaldehyde?
The canonical SMILES for 4-(4-fluorophenyl)-2-oxopiperidine-3-carbaldehyde is O=CC1C(=O)NCCC1c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-oxopiperidine-3-carbaldehyde?
The InChIKey is XBXYSVNWBRSIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c13-9-3-1-8(2-4-9)10-5-6-14-12(16)11(10)7-15/h1-4,7,10-11H,5-6H2,(H,14,16).
What are the key properties of 4-(4-fluorophenyl)-2-oxopiperidine-3-carbaldehyde?
4-(4-fluorophenyl)-2-oxopiperidine-3-carbaldehyde has a molecular weight of 221.23 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-oxopiperidine-3-carbaldehyde is sourced from PubChem (CID 54461508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).