Home Carboxys rac-tert-butyl (3R,4S)-3-(aminomethyl)-4-(4-fluorophenyl)piperidine-1-carboxylate

rac-tert-butyl (3R,4S)-3-(aminomethyl)-4-(4-fluorophenyl)piperidine-1-carboxylate

CAS No.:
2031242-84-7
Catalog Number:
AG01C12S
Molecular Formula:
C17H25FN2O2
Molecular Weight:
308.3910
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Product Description
Catalog Number:
AG01C12S
Chemical Name:
rac-tert-butyl (3R,4S)-3-(aminomethyl)-4-(4-fluorophenyl)piperidine-1-carboxylate
CAS Number:
2031242-84-7
Molecular Formula:
C17H25FN2O2
Molecular Weight:
308.3910
MDL Number:
MFCD29042320
IUPAC Name:
tert-butyl (3R,4S)-3-(aminomethyl)-4-(4-fluorophenyl)piperidine-1-carboxylate
InChI:
InChI=1S/C17H25FN2O2/c1-17(2,3)22-16(21)20-9-8-15(13(10-19)11-20)12-4-6-14(18)7-5-12/h4-7,13,15H,8-11,19H2,1-3H3/t13-,15-/m1/s1
InChI Key:
IWJGXWXLGKKCJJ-UKRRQHHQSA-N
SMILES:
NC[C@@H]1CN(CC[C@@H]1c1ccc(cc1)F)C(=O)OC(C)(C)C
Properties
Complexity:
375  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
308.19g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
308.397g/mol
Monoisotopic Mass:
308.19g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties