4-Isopropoxypiperidine - CAS 43139-18-0

Catalog:	BB025337
Product Name:	4-Isopropoxypiperidine
CAS:	43139-18-0
Synonyms:	4-propan-2-yloxypiperidine; 4-propan-2-yloxypiperidine

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Computed Properties

IUPAC Name:	4-propan-2-yloxypiperidine
Description:	4-Isopropoxypiperidine was a useful reagent in the preparation of quinoline and isoquinoline derivatives as P2X7 antagonists useful in the treatment of P2X7 receptor associated diseases.
Molecular Weight:	143.23
Molecular Formula:	C8H17NO
Canonical SMILES:	CC(C)OC1CCNCC1
InChI:	InChI=1S/C8H17NO/c1-7(2)10-8-3-5-9-6-4-8/h7-9H,3-6H2,1-2H3
InChI Key:	RKGXJBAAWCGBQA-UHFFFAOYSA-N
LogP:	1.49220

Publication Number	Title	Priority Date
WO-2021093701-A1	8-substituted styryl xanthine derivatives and uses thereof	20191111
US-2021024510-A1	Bicyclic cx3cr1 receptor agonists	20190723
WO-2021016449-A1	Bicyclic cx3cr1 receptor agonists	20190723
WO-2021007303-A1	Nanoparticle formulation of bcl-2 inhibitor	20190710
WO-2021003084-A1	P2x7r antagonists	20190701

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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:	87.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	143.131014166
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	143.131014166
Rotatable Bond Count:	2
Topological Polar Surface Area:	21.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1