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201855-60-9 | 3-Piperidinemethanol, 4-(4-fluorophenyl)-1-(phenylmethyl)-, (3S,4R)-
CAS No: 201855-60-9 Catalog No: AG0027WL MDL No:
Product Description
Catalog Number:
AG0027WL
Chemical Name:
3-Piperidinemethanol, 4-(4-fluorophenyl)-1-(phenylmethyl)-, (3S,4R)-
CAS Number:
201855-60-9
Molecular Formula:
C19H22FNO
Molecular Weight:
299.3825
IUPAC Name:
[(3S,4R)-1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]methanol
InChI:
InChI=1S/C19H22FNO/c20-18-8-6-16(7-9-18)19-10-11-21(13-17(19)14-22)12-15-4-2-1-3-5-15/h1-9,17,19,22H,10-14H2/t17-,19-/m0/s1
InChI Key:
AELJBFRPEBTCSA-HKUYNNGSSA-N
SMILES:
OC[C@@H]1CN(CC[C@H]1c1ccc(cc1)F)Cc1ccccc1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
299.169g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.389g/mol
Monoisotopic Mass:
299.169g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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