Home Other Building Blocks rac-tert-butyl N-[(3R,4R)-4-(4-fluorophenyl)piperidin-3-yl]carbamate, trans

rac-tert-butyl N-[(3R,4R)-4-(4-fluorophenyl)piperidin-3-yl]carbamate, trans

CAS No.:
1909287-15-5
Catalog Number:
AG01C2N2
Molecular Formula:
C16H23FN2O2
Molecular Weight:
294.3644
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Product Description
Catalog Number:
AG01C2N2
Chemical Name:
rac-tert-butyl N-[(3R,4R)-4-(4-fluorophenyl)piperidin-3-yl]carbamate, trans
CAS Number:
1909287-15-5
Molecular Formula:
C16H23FN2O2
Molecular Weight:
294.3644
MDL Number:
MFCD29055061
IUPAC Name:
tert-butyl N-[(3S,4S)-4-(4-fluorophenyl)piperidin-3-yl]carbamate
InChI:
InChI=1S/C16H23FN2O2/c1-16(2,3)21-15(20)19-14-10-18-9-8-13(14)11-4-6-12(17)7-5-11/h4-7,13-14,18H,8-10H2,1-3H3,(H,19,20)/t13-,14+/m0/s1
InChI Key:
JIGWOQRYVVMPAI-UONOGXRCSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H]1CNCC[C@H]1c1ccc(cc1)F
Properties
Complexity:
349  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
294.174g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
294.37g/mol
Monoisotopic Mass:
294.174g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties