Home Carboxys tert-butyl 3-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylate

tert-butyl 3-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylate

CAS No.:
1004619-28-6
Catalog Number:
AG019SQ3
Molecular Formula:
C17H22F3NO3
Molecular Weight:
345.3567
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Product Description
Catalog Number:
AG019SQ3
Chemical Name:
tert-butyl 3-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CAS Number:
1004619-28-6
Molecular Formula:
C17H22F3NO3
Molecular Weight:
345.3567
MDL Number:
MFCD20502196
IUPAC Name:
tert-butyl 3-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
InChI:
InChI=1S/C17H22F3NO3/c1-16(2,3)24-15(23)21-9-8-13(14(22)10-21)11-4-6-12(7-5-11)17(18,19)20/h4-7,13-14,22H,8-10H2,1-3H3
InChI Key:
JKBMOUHRFFYVBS-UHFFFAOYSA-N
SMILES:
OC1CN(CCC1c1ccc(cc1)C(F)(F)F)C(=O)OC(C)(C)C
Properties
Complexity:
439  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.155g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
345.362g/mol
Monoisotopic Mass:
345.155g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties