3-(1-Methyl-4-piperidinyl)-1H-indol-5-ol

HCID 2438

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Basic information

CAS: 57477-39-1
Standard SMILES: CN1CCC(c2c[nH]c3ccc(O)cc23)CC1
InChIKey: WKNFADCGOAHBPG-UHFFFAOYSA-N
Molecular formula: C14H18N2O
Average molar mass: 230.31 g/mol
Monoisotopic mass: 230.1419132

Overview

3-(1-methyl-4-piperidinyl)-1H-indol-5-ol is a member of hydroxyindoles.

Names & identifiers

Preferred name: 3-(1-Methyl-4-piperidinyl)-1H-indol-5-ol
IUPAC: 3-(1-methylpiperidin-4-yl)-1H-indol-5-ol
English name: BRL 54443
Molecular formula: C14H18N2O
Molecular weight: 230.31

Names & synonyms

57477-39-13-(1-methylpiperidin-4-yl)-1H-indol-5-olBRL-544431H-Indol-5-ol, 3-(1-methyl-4-piperidinyl)-Q2DH1CHI0YDTXSID402060893-(1-METHYL-4-PIPERIDINYL)-1H-INDOL-5-OLRefChem:1066395DTXCID90128580BRL 54443BRL544435-Hydroxy-3-(1-methylpiperidin-4-yl)-1H-indole

Show more names

CS-1781BRL 54443 HClBRL 54443, >=98%BRL-54443 ，S2852BRL 54443 USP/EP/BPBRL 54443, 10 mM in DMSO

MFCD018611845-Hydroxy-3-(1-Methylpiperidin-4-yl)indoleUNII-Q2DH1CHI0YNCGC00015134-01Tocris-1129Lopac-B-1733-(1-methyl-4-piperidyl)-1H-indol-5-olBiomol-NT_000107

Database identifiers

CAS: 57477-39-1
PubChem CID: 2438
DTXSID: DTXSID40206089
ChEMBL: CHEMBL1371156
ChEBI: CHEBI:92321
UNII: Q2DH1CHI0Y
Nikkaji: J1.507.526K

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 39.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 263

Physicochemical properties

Boiling point: 431.5 · 431.5±45.0 °C(Predicted)
Density: 1.196 · 1.196
storage temp.: 2 · Inert atmosphere,2-8°C
solubility: 2 O: · H2O: 50 mg/mL
form: solid
pka: 10.08 · 10.08±0.40(Predicted)
color: white
FDA UNII: 2 DH1CHI0Y · Q2DH1CHI0Y
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P362+P364-P332+P313-P337+P313-P403+P233-P405-P501
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3

Safety & regulation

Safety data

wgk: 3
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P362+P364-P332+P313-P337+P313-P403+P233-P405-P501