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157000-71-0 | Ethanone, 2-(3,4-dichlorophenyl)-1-[2-[(3-hydroxy-1-pyrrolidinyl)methyl]-4,4-dimethyl-1-piperidinyl]-
CAS No: 157000-71-0 Catalog No: AG001P5K MDL No:
Product Description
Catalog Number:
AG001P5K
Chemical Name:
Ethanone, 2-(3,4-dichlorophenyl)-1-[2-[(3-hydroxy-1-pyrrolidinyl)methyl]-4,4-dimethyl-1-piperidinyl]-
CAS Number:
157000-71-0
Molecular Formula:
C20H28Cl2N2O2
Molecular Weight:
399.3545
IUPAC Name:
2-(3,4-dichlorophenyl)-1-[2-[(3-hydroxypyrrolidin-1-yl)methyl]-4,4-dimethylpiperidin-1-yl]ethanone
InChI:
InChI=1S/C20H28Cl2N2O2/c1-20(2)6-8-24(15(11-20)12-23-7-5-16(25)13-23)19(26)10-14-3-4-17(21)18(22)9-14/h3-4,9,15-16,25H,5-8,10-13H2,1-2H3
InChI Key:
DYKJMRFQHDXDHH-UHFFFAOYSA-N
SMILES:
OC1CCN(C1)CC1CC(C)(C)CCN1C(=O)Cc1ccc(c(c1)Cl)Cl
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.153g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
399.356g/mol
Monoisotopic Mass:
398.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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