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128508-05-4 | 2-Butanone, 1-[6-(2-hydroxy-2-phenylethyl)-1-methyl-2-piperidinyl]- (9CI)
CAS No: 128508-05-4 Catalog No: AG000Y5E MDL No:
Product Description
Catalog Number:
AG000Y5E
Chemical Name:
2-Butanone, 1-[6-(2-hydroxy-2-phenylethyl)-1-methyl-2-piperidinyl]- (9CI)
CAS Number:
128508-05-4
Molecular Formula:
C18H27NO2
Molecular Weight:
289.4125
IUPAC Name:
1-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]butan-2-one
InChI:
InChI=1S/C18H27NO2/c1-3-17(20)12-15-10-7-11-16(19(15)2)13-18(21)14-8-5-4-6-9-14/h4-6,8-9,15-16,18,21H,3,7,10-13H2,1-2H3
InChI Key:
VFMQEDIHEJZHAD-UHFFFAOYSA-N
SMILES:
CCC(=O)CC1CCCC(N1C)CC(c1ccccc1)O
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.204g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.419g/mol
Monoisotopic Mass:
289.204g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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