5-Methoxy-3-(piperidin-4-yl)-1H-indole - CAS 52157-82-1

Catalog:	BB027730
Product Name:	5-Methoxy-3-(piperidin-4-yl)-1H-indole
CAS:	52157-82-1
Synonyms:	5-methoxy-3-(4-piperidinyl)-1H-indole; 5-methoxy-3-piperidin-4-yl-1H-indole

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Computed Properties

IUPAC Name:	5-methoxy-3-piperidin-4-yl-1H-indole
Description:	5-Methoxy-3-(piperidin-4-yl)-1H-indole (CAS# 52157-82-1) is a useful research chemical.
Molecular Weight:	230.31
Molecular Formula:	C14H18N2O
Canonical SMILES:	COC1=CC2=C(C=C1)NC=C2C3CCNCC3
InChI:	InChI=1S/C14H18N2O/c1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10/h2-3,8-10,15-16H,4-7H2,1H3
InChI Key:	KRDQQMGVPDMSNR-UHFFFAOYSA-N
Boiling Point:	423.7 °C at 760 mmHg
Density:	1.133 g/cm³
Appearance:	White solid
LogP:	2.97230

Publication Number	Title	Priority Date
US-2020392125-A1	Heterocyclic compounds	20171128
CN-106045966-B	Substituted heterocyclic compounds and their use in medicine	20150408
CN-106045967-B	Substituted heterocyclic compounds and their use in medicine	20150408
WO-2015082499-A2	Pharmaceutical compound	20131203
US-2012010193-A1	Cgrp receptor antagonists	20090318

PMID	Publication Date	Title	Journal
18995929	20090401	Novel 4-aryl-pyrido[1,2-c]pyrimidines with dual SSRI and 5-HT1A activity, part 1	European journal of medicinal chemistry

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Related Functional Groups

Piperidines

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[832740-03-1]
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[130250-54-3]
Ethyl 1-Boc-3-piperidinecarboxylate

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	253
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	230.141913202
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	230.141913202
Rotatable Bond Count:	2
Topological Polar Surface Area:	37 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1