(S)-3-(4-Bromophenyl)piperidine

C11H14BrNCAS 1335523-82-4240.14 g/mol

Open in Covalent MOL file
HNBr
Aryl halideSecondary amine

Properties

Molecular formula
C11H14BrN
Molar mass
240.14 g/mol
Exact mass
239.0310 Da
logP
2.92Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Hazards

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

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Identifiers

CAS number
1335523-82-4
SMILES
C1C[C@H](CNC1)C2=CC=C(C=C2)Br
InChIKey
SZTZMTODFHPUHI-SNVBAGLBSA-N
InChI
InChI=1S/C11H14BrN/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h3-6,10,13H,1-2,7-8H2/t10-/m1/s1

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Work with (S)-3-(4-Bromophenyl)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

Similar compounds

3-Phenylpiperidine3973-62-465 % similar 1-Bromo-4-cyclohexylbenzene25109-28-860 % similar 1-Bromo-4-cyclopropylbenzene1124-14-755 % similar 2-(4-Bromophenyl)pyrrolidine383127-22-853 % similar 3-Phenylpyrrolidine936-44-748 % similar (R)-3-Phenyl-pyrrolidine hydrochloride851000-46-944 % similar 3-Phenyl-pyrrolidine hydrochloride857281-02-844 % similar 1-Bromo-4-(trans-4-pentylcyclohexyl)benzene79832-89-643 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(4-Bromophenyl)piperidine80980-89-8

Elsewhere

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