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157381-03-8 | 2-Piperidinemethanol, 6-dodecyl-3-hydroxy-, (2R,3S,6S)-
CAS No: 157381-03-8 Catalog No: AG001PES MDL No:
Product Description
Catalog Number:
AG001PES
Chemical Name:
2-Piperidinemethanol, 6-dodecyl-3-hydroxy-, (2R,3S,6S)-
CAS Number:
157381-03-8
Molecular Formula:
C18H37NO2
Molecular Weight:
299.4919
IUPAC Name:
(2R,3S,6S)-6-dodecyl-2-(hydroxymethyl)piperidin-3-ol
InChI:
InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-18(21)17(15-20)19-16/h16-21H,2-15H2,1H3/t16-,17+,18-/m0/s1
InChI Key:
HIMLRIRWYGHUHB-KSZLIROESA-N
SMILES:
CCCCCCCCCCCC[C@H]1CC[C@@H]([C@H](N1)CO)O
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
299.282g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
299.499g/mol
Monoisotopic Mass:
299.282g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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