CAS 855778-84-6

1 2D Structure

CAS 855778-84-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-piperidin-4-yl-1H-quinolin-2-one;hydrochloride

2.1.2 InChI

InChI=1S/C14H16N2O.ClH/c17-14-12(10-5-7-15-8-6-10)9-11-3-1-2-4-13(11)16-14;/h1-4,9-10,15H,5-8H2,(H,16,17);1H

2.1.3 InChI Key

BAPAUBKDZOEWJL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CNCCC1C2=CC3=CC=CC=C3NC2=O.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 855778-84-6

2. Schembl2209444

3. Bapaubkdzoewjl-uhfffaoysa-n

4. E72264

5. 3-(piperidin-4-yl)quinolin-2(1h)-one-hydrochloride

6. 3-(4-piperidinyl)-2(1h)-quinolinone Hydrochloride

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₇ClN₂O
Molecular Weight	264.75 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	41.1
Heavy Atom Count	18
Formal Charge	0
Complexity	331
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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