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102071-16-9 | 2,6-Piperidinediethanol, 1-methyl-α2,α2,α6-triphenyl-, hydrochloride (1:1)
CAS No: 102071-16-9 Catalog No: AG0006I9 MDL No:
Product Description
Catalog Number:
AG0006I9
Chemical Name:
2,6-Piperidinediethanol, 1-methyl-α2,α2,α6-triphenyl-, hydrochloride (1:1)
CAS Number:
102071-16-9
Molecular Formula:
C28H34ClNO2
Molecular Weight:
452.0281
IUPAC Name:
2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1,1-diphenylethanol;hydrochloride
InChI:
InChI=1S/C28H33NO2.ClH/c1-29-25(20-27(30)22-12-5-2-6-13-22)18-11-19-26(29)21-28(31,23-14-7-3-8-15-23)24-16-9-4-10-17-24;/h2-10,12-17,25-27,30-31H,11,18-21H2,1H3;1H
InChI Key:
BVJXCTHMBWFSME-UHFFFAOYSA-N
SMILES:
OC(c1ccccc1)CC1CCCC(N1C)CC(c1ccccc1)(c1ccccc1)O.Cl
NSC Number:
665876
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
451.228g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
452.035g/mol
Monoisotopic Mass:
451.228g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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