4-(4-Chlorobenzoyl)piperidine

C₁₂H₁₄ClNOCAS 53220-41-0223.70 g/mol

Open in Covalent MOL file

Aryl halide Ketone Secondary amine

Properties

Molecular formula: C₁₂H₁₄ClNO
Molar mass: 223.70 g/mol
Exact mass: 223.0764 Da
logP: 2.52Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

53220-41-0

SMILES

C1CNCCC1C(=O)C2=CC=C(C=C2)Cl

InChIKey

IYGWDOXHCPQXKN-UHFFFAOYSA-N

InChI

InChI=1S/C12H14ClNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-4,10,14H,5-8H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4-(4-Chlorobenzoyl)piperidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-(4-Chlorobenzoyl)piperidine hydrochloride55695-51-7Salt

Similar compounds

(4-Chlorophenyl)cyclopropylmethanone6640-25-177 % similar 4-(4-Fluorobenzoyl)piperidine56346-57-766 % similar 4-(4-Fluorobenzoyl)piperidine hydrochloride25519-78-261 % similar 2-Bromo-1-(4-chlorophenyl)-1-propanone877-37-249 % similar (4-Bromophenyl)cyclopropylmethanone6952-89-247 % similar Cyclopropyl(4-fluorophenyl)methanone772-31-647 % similar Benzoylcyclopropane3481-02-547 % similar Cyclobutyl phenyl ketone5407-98-744 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook