piperidin-4-yl acetate hydrochloride - CAS 94886-04-1

Catalog:	BB041578
Product Name:	piperidin-4-yl acetate hydrochloride
CAS:	94886-04-1
Synonyms:	acetic acid 4-piperidinyl ester;hydrochloride; piperidin-4-yl acetate;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	piperidin-4-yl acetate;hydrochloride
Description:	piperidin-4-yl acetate hydrochloride (CAS# 94886-04-1) is a useful research chemical.
Molecular Weight:	179.644
Molecular Formula:	C7H14ClNO2
Canonical SMILES:	CC(=O)OC1CCNCC1.Cl
InChI:	InChI=1S/C7H13NO2.ClH/c1-6(9)10-7-2-4-8-5-3-7;/h7-8H,2-5H2,1H3;1H
InChI Key:	UDSMCVVEFKCVIM-UHFFFAOYSA-N
Boiling Point:	235.3 °C at 760 mmHg
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD08061428
LogP:	1.43230

Publication Number	Title	Priority Date
WO-2019216294-A1	Azabenzimidazole compounds and pharmaceutical	20180508
EP-3792260-A1	Azabenzimidazole compounds and pharmaceutical	20180508
WO-2019154950-A1	Fused thiophene derivatives and their uses	20180208
AU-2019216793-A1	Fused thiophene derivatives and their uses	20180208
CN-111954668-A	Fused thiophene derivative and use thereof	20180208

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Complexity:	119
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.0713064
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	179.0713064
Rotatable Bond Count:	2
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0