8-Chloro-11-(1-methyl-piperidin-4-yl)-6,11-dihydro-5hbenzo(5,6)cyclohepta(1,2-b)pyridin-11-ol

C₂₀H₂₃ClN₂OCAS 38089-93-9342.87 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Tertiary amine

Properties

Molecular formula: C₂₀H₂₃ClN₂O
Molar mass: 342.87 g/mol
Exact mass: 342.1499 Da
logP: 3.41Crippen estimate
Polar surface area: 36.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H315 Causes skin irritation80% of notifiers
H319 Causes serious eye irritation80% of notifiers
H335 May cause respiratory irritation80% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

38089-93-9

SMILES

CN1CCC(C2(O)c3ccc(Cl)cc3CCc3cccnc32)CC1

InChIKey

HSLLZISLOQPUNP-UHFFFAOYSA-N

InChI

InChI=1S/C20H23ClN2O/c1-23-11-8-16(9-12-23)20(24)18-7-6-17(21)13-15(18)5-4-14-3-2-10-22-19(14)20/h2-3,6-7,10,13,16,24H,4-5,8-9,11-12H2,1H3

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

Names and synonyms

2 names

8-Chloro-6,11-dihydro-11-(1-methyl-4-piperidinyl)-5H-benzo[5,6]cyclohepta[1,2-B]pyridin-11-ol
5H-Benzo[5,6]cyclohepta[1,2-b]pyridin-11-ol, 8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinyl)-

Work with 8-Chloro-11-(1-methyl-piperidin-4-yl)-6,11-dihydro-5hbenzo(5,6)cyclohepta(1,2-b)pyridin-11-ol

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

N-Methyldesloratadine38092-89-645 % similar 8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one31251-41-935 % similar Loratadine79794-75-532 % similar Desloratadine100643-71-832 % similar 3-(2-(3-Chlorophenyl)ethyl)-2-pyridinecarbonitrile31255-57-932 % similar Rupatadine158876-82-531 % similar Clomipramine303-49-131 % similar N-Methyl-N,N-bis(2-pyridylethyl)amine5452-87-930 % similar

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

Same formula

Loratadine ketone130642-50-1

Elsewhere

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