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250589-64-1

250589-64-1 | 3-Piperidinol, 2-phenyl-1-(phenylmethyl)-, (2S,3S)-

CAS No: 250589-64-1 Catalog No: AG002QAK MDL No:MFCD05864605

Product Description

Catalog Number:
AG002QAK
Chemical Name:
3-Piperidinol, 2-phenyl-1-(phenylmethyl)-, (2S,3S)-
CAS Number:
250589-64-1
Molecular Formula:
C18H21NO
Molecular Weight:
267.3654
MDL Number:
MFCD05864605
IUPAC Name:
(2S,3S)-1-benzyl-2-phenylpiperidin-3-ol
InChI:
InChI=1S/C18H21NO/c20-17-12-7-13-19(14-15-8-3-1-4-9-15)18(17)16-10-5-2-6-11-16/h1-6,8-11,17-18,20H,7,12-14H2/t17-,18-/m0/s1
InChI Key:
FPHQSHFUYFORCS-ROUUACIJSA-N
SMILES:
O[C@H]1CCCN([C@H]1c1ccccc1)Cc1ccccc1

Properties

Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
267.162g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
267.372g/mol
Monoisotopic Mass:
267.162g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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