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128887-76-3 | 3,4-Piperidinediol, 1,3-dimethyl-6-(2,4,5-trimethylphenyl)-, (3R,4R,6R)-rel-
CAS No: 128887-76-3 Catalog No: AG000YGH MDL No:
Product Description
Catalog Number:
AG000YGH
Chemical Name:
3,4-Piperidinediol, 1,3-dimethyl-6-(2,4,5-trimethylphenyl)-, (3R,4R,6R)-rel-
CAS Number:
128887-76-3
Molecular Formula:
C16H25NO2
Molecular Weight:
263.3752
IUPAC Name:
1,3-dimethyl-6-(2,4,5-trimethylphenyl)piperidine-3,4-diol
InChI:
InChI=1S/C16H25NO2/c1-10-6-12(3)13(7-11(10)2)14-8-15(18)16(4,19)9-17(14)5/h6-7,14-15,18-19H,8-9H2,1-5H3
InChI Key:
UOTKLIXLOARMGK-UHFFFAOYSA-N
SMILES:
CN1C[C@@](C)(O)[C@@H](C[C@@H]1c1cc(C)c(cc1C)C)O
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.189g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.381g/mol
Monoisotopic Mass:
263.189g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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