6-fluoro-3-(piperidin-4-yl)-1H-indole

HCID 11096077

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Basic information

CAS: 76315-55-4
Standard SMILES: Fc1ccc2c(C3CCNCC3)c[nH]c2c1
InChIKey: VNEIHOLJEZRVCL-UHFFFAOYSA-N
Molecular formula: C13H15FN2
Average molar mass: 218.27 g/mol
Monoisotopic mass: 218.1219267

Names & identifiers

Preferred name: 6-fluoro-3-(piperidin-4-yl)-1H-indole
IUPAC: 6-fluoro-3-piperidin-4-yl-1H-indole
English name: 6-FLUORO-3-PIPERIDIN-4-YL-1H-INDOLE
Molecular formula: C13H15FN2
Molecular weight: 218.27

Names & synonyms

6-fluoro-3-(piperidin-4-yl)-1H-indole76315-55-4DTXSID60455072RefChem:308390DTXCID20405891890-098-96-Fluoro-3-piperidin-4-yl-1H-indoleMFCD041147354-(6-Fluoroindol-3-yl)piperidine6-fluoro-3-(4-piperidyl)-1H-indole6-FLUORO-3-(4-PIPERIDINYL)-1H-INDOLECHEMBL280089

Show more names

1H-Indole, 6-fluoro-3-(4-piperidinyl)-

SCHEMBL2904310SCHEMBL4671007SCHEMBL30275187VNEIHOLJEZRVCL-UHFFFAOYSA-NEBC-06456AKOS009344671AB18879CCG-357576

Database identifiers

CAS: 76315-55-4
PubChem CID: 11096077
DTXSID: DTXSID60455072
ChEMBL: CHEMBL280089
EC Number: 890-098-9
Nikkaji: J1.292.212D

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 27.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 240

Physicochemical properties

Boiling point: 391.8 · 391.8±42.0 °C(Predicted)
Density: 1.19 · 1.190±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 16.46 · 16.46±0.30(Predicted)
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 315 · H315-H318-H302-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H315-H318-H302-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501