1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[3-[2-(3-chlorophenyl)ethyl]pyridin-2-yl]-(1-methylpiperidin-4-yl)methanone;hydrochloride

2.1.2 InChI

InChI=1S/C20H23ClN2O.ClH/c1-23-12-9-17(10-13-23)20(24)19-16(5-3-11-22-19)8-7-15-4-2-6-18(21)14-15;/h2-6,11,14,17H,7-10,12-13H2,1H3;1H

2.1.3 InChI Key

YDOROGMYGIAIPT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1CCC(CC1)C(=O)C2=C(C=CC=N2)CCC3=CC(=CC=C3)Cl.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 119770-60-4

2. 107256-31-5

3. 3-[2-(3-chlorophenyl)ethyl]-2-pyridyl 1-methyl-4-piperidyl Ketone Hydrochloride

4. (1-methyl-4-piperidinyl)[3-[2-(3-chlorophenyl)ethyl]pyridinyl]methanone Hydrochloride

5. [3-[2-(3-chlorophenyl)ethyl]pyridin-2-yl]-(1-methylpiperidin-4-yl)methanone;hydrochloride

6. 3-[2-(3-chlorophenyl)ethyl]-2-pyridinyl-(1-methyl-4-piperidinyl)methanone Hydrochloride

7. 1-(methyl-4-piperidinyl)-(3-(2-(3-chlorophenyl)ethyl)-2-pyridinyl) Methanone Hydrochloride

8. Methanone, [3-[2-(3-chlorophenyl)ethyl]-2-pyridinyl](1-methyl-4-piperidinyl)-, Hydrochloride (1:1)

9. Loratadine Ketone

10. Schembl7671363

11. Akos005217016

12. 770c604

13. (1-methyl-4-piperidinyl)[3-[ 2-(3-chlorophenyl)ethyl]-2-pyridinyl]methanone Hydrochloride

14. (1-methyl-4-piperidinyl)[3-[2-( 3-chlorophenyl)ethyl]-2-pyridinyl]methanone Hydrochloride

15. [3-[2-(3-chlorophenyl) Ethyl]-2-pyridinyl]-1-methyl-4-piperidinyl Methanone Hydrochloride

16. [3-[2-(3-chlorophenyl)ethyl]-2-pyridinyl]-1-methyl-4-piperidinyl Methanone Hydrochloride

17. Loratadine Impurity ((1-methyl-4-piperidinyl)[3-[2-(3-chlorophenyl)ethyl]pyridinyl]methanone)

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₄Cl₂N₂O
Molecular Weight	379.3 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	378.1265688 g/mol
Monoisotopic Mass	378.1265688 g/mol
Topological Polar Surface Area	33.2 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	408
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

CAS 119770-60-4