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85866-53-1 | (3S,4R,6S)-4-ethyl-1,3-dimethyl-6-phenyl-piperidine-3,4-diol
CAS No: 85866-53-1 Catalog No: AG004R47 MDL No:
Product Description
Catalog Number:
AG004R47
Chemical Name:
(3S,4R,6S)-4-ethyl-1,3-dimethyl-6-phenyl-piperidine-3,4-diol
CAS Number:
85866-53-1
Molecular Formula:
C15H23NO2
Molecular Weight:
249.3486
IUPAC Name:
(3S,4R,6S)-4-ethyl-1,3-dimethyl-6-phenylpiperidine-3,4-diol
InChI:
InChI=1S/C15H23NO2/c1-4-15(18)10-13(12-8-6-5-7-9-12)16(3)11-14(15,2)17/h5-9,13,17-18H,4,10-11H2,1-3H3/t13-,14-,15+/m0/s1
InChI Key:
ZMJIRVJCHYCCPR-SOUVJXGZSA-N
SMILES:
CC[C@@]1(O)C[C@H](N(C[C@]1(C)O)C)c1ccccc1
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
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:
2
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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