1-Benzyl-4,4-difluoropiperidine

C₁₂H₁₅F₂NCAS 155137-18-1211.26 g/mol

Open in Covalent MOL file

Alkyl halide Tertiary amine

Properties

Molecular formula: C₁₂H₁₅F₂N
Molar mass: 211.26 g/mol
Exact mass: 211.1173 Da
logP: 2.92Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage20% of notifiers
H315 Causes skin irritation80% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

155137-18-1

SMILES

C1CN(CCC1(F)F)CC2=CC=CC=C2

InChIKey

ZOHRARQBWMKEMZ-UHFFFAOYSA-N

InChI

InChI=1S/C12H15F2N/c13-12(14)6-8-15(9-7-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2

Weigh it out

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

Work with 1-Benzyl-4,4-difluoropiperidine

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

1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-562 % similar 3-Benzyl-3,9-diaza-spiro[5.5]undecane189333-49-156 % similar 1-Benzylpiperidine2905-56-855 % similar Tribenzylamine620-40-654 % similar 4-Hydroxy-1-(phenylmethyl)-4-piperidinecarbonitrile6094-60-653 % similar 2,2'-((Phenylmethyl)imino)bisethanol101-32-652 % similar 1-Benzylpiperazine2759-17-352 % similar 1-Benzylpiperazine2759-28-652 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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