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Also known as: 119770-60-4, 107256-31-5, 3-[2-(3-chlorophenyl)ethyl]-2-pyridyl 1-methyl-4-piperidyl ketone hydrochloride, (1-methyl-4-piperidinyl)[3-[2-(3-chlorophenyl)ethyl]pyridinyl]methanone hydrochloride, [3-[2-(3-chlorophenyl)ethyl]pyridin-2-yl]-(1-methylpiperidin-4-yl)methanone;hydrochloride, 3-[2-(3-chlorophenyl)ethyl]-2-pyridinyl-(1-methyl-4-piperidinyl)methanone hydrochloride
Molecular Formula
C20H24Cl2N2O
Molecular Weight
379.3  g/mol
InChI Key
YDOROGMYGIAIPT-UHFFFAOYSA-N

CAS 119770-60-4
1 2D Structure

CAS 119770-60-4

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 Weight 379.3 g/mol
Molecular Formula C20H24Cl2N2O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass378.1265688 g/mol
Monoisotopic Mass378.1265688 g/mol
Topological Polar Surface Area33.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity408
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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