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119770-60-4 | Methanone, [3-[2-(3-chlorophenyl)ethyl]-2-pyridinyl](1-methyl-4-piperidinyl)-, hydrochloride (1:1)
CAS No: 119770-60-4 Catalog No: AG000PMK MDL No:MFCD08063842
Product Description
Catalog Number:
AG000PMK
Chemical Name:
Methanone, [3-[2-(3-chlorophenyl)ethyl]-2-pyridinyl](1-methyl-4-piperidinyl)-, hydrochloride (1:1)
CAS Number:
119770-60-4
Molecular Formula:
C20H24Cl2N2O
Molecular Weight:
379.3234
MDL Number:
MFCD08063842
IUPAC Name:
[3-[2-(3-chlorophenyl)ethyl]pyridin-2-yl]-(1-methylpiperidin-4-yl)methanone;hydrochloride
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
InChI Key:
YDOROGMYGIAIPT-UHFFFAOYSA-N
SMILES:
CN1CCC(CC1)C(=O)c1ncccc1CCc1cccc(c1)Cl.Cl
EC Number:
601-629-9
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.127g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
379.325g/mol
Monoisotopic Mass:
378.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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