Home Carboxys tert-Butyl 4-cyano-4-(4-fluorobenzyl)piperidine-1-carboxylate

tert-Butyl 4-cyano-4-(4-fluorobenzyl)piperidine-1-carboxylate

CAS No.:
894769-77-8
Catalog Number:
AG00IFQN
Molecular Formula:
C18H23FN2O2
Molecular Weight:
318.3858
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Product Description
Catalog Number:
AG00IFQN
Chemical Name:
tert-Butyl 4-cyano-4-(4-fluorobenzyl)piperidine-1-carboxylate
CAS Number:
894769-77-8
Molecular Formula:
C18H23FN2O2
Molecular Weight:
318.3858
MDL Number:
MFCD11849799
IUPAC Name:
tert-butyl 4-cyano-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylate
InChI:
InChI=1S/C18H23FN2O2/c1-17(2,3)23-16(22)21-10-8-18(13-20,9-11-21)12-14-4-6-15(19)7-5-14/h4-7H,8-12H2,1-3H3
InChI Key:
LKIRYAYVQPULQI-UHFFFAOYSA-N
SMILES:
N#CC1(CCN(CC1)C(=O)OC(C)(C)C)Cc1ccc(cc1)F
Properties
Complexity:
461  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.174g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.392g/mol
Monoisotopic Mass:
318.174g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties