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113411-58-8 | 4-Piperidinol, 4-(2-methoxyphenyl)-1-(phenylmethyl)-, hydrochloride (1:1)
CAS No: 113411-58-8 Catalog No: AG0008I5 MDL No:
Product Description
Catalog Number:
AG0008I5
Chemical Name:
4-Piperidinol, 4-(2-methoxyphenyl)-1-(phenylmethyl)-, hydrochloride (1:1)
CAS Number:
113411-58-8
Molecular Formula:
C19H24ClNO2
Molecular Weight:
333.8524
IUPAC Name:
1-benzyl-4-(2-methoxyphenyl)piperidin-4-ol;hydrochloride
InChI:
InChI=1S/C19H23NO2.ClH/c1-22-18-10-6-5-9-17(18)19(21)11-13-20(14-12-19)15-16-7-3-2-4-8-16;/h2-10,21H,11-15H2,1H3;1H
InChI Key:
KGSGVSGKTUNILE-UHFFFAOYSA-N
SMILES:
COc1ccccc1C1(O)CCN(CC1)Cc1ccccc1.Cl
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.15g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
333.856g/mol
Monoisotopic Mass:
333.15g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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