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128887-74-1 | 3,4-Piperidinediol, 6-(2,4-dimethylphenyl)-1,3-dimethyl-, (3R,4R,6R)-rel-
CAS No: 128887-74-1 Catalog No: AG000YGI MDL No:
Product Description
Catalog Number:
AG000YGI
Chemical Name:
3,4-Piperidinediol, 6-(2,4-dimethylphenyl)-1,3-dimethyl-, (3R,4R,6R)-rel-
CAS Number:
128887-74-1
Molecular Formula:
C15H23NO2
Molecular Weight:
249.3486
IUPAC Name:
6-(2,4-dimethylphenyl)-1,3-dimethylpiperidine-3,4-diol
InChI:
InChI=1S/C15H23NO2/c1-10-5-6-12(11(2)7-10)13-8-14(17)15(3,18)9-16(13)4/h5-7,13-14,17-18H,8-9H2,1-4H3
InChI Key:
BXHUHAQDRAWEPJ-UHFFFAOYSA-N
SMILES:
CN1C[C@@](C)(O)[C@@H](C[C@@H]1c1ccc(cc1C)C)O
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.173g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.354g/mol
Monoisotopic Mass:
249.173g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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