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1198286-42-8 | 1-Piperidinecarboxylic acid, 4-amino-4-(4-fluorophenyl)-, 1,1-dimethylethyl ester
CAS No: 1198286-42-8 Catalog No: AG000PQE MDL No:
Product Description
Catalog Number:
AG000PQE
Chemical Name:
1-Piperidinecarboxylic acid, 4-amino-4-(4-fluorophenyl)-, 1,1-dimethylethyl ester
CAS Number:
1198286-42-8
Molecular Formula:
C16H23FN2O2
Molecular Weight:
294.3644
IUPAC Name:
tert-butyl 4-amino-4-(4-fluorophenyl)piperidine-1-carboxylate
InChI:
InChI=1S/C16H23FN2O2/c1-15(2,3)21-14(20)19-10-8-16(18,9-11-19)12-4-6-13(17)7-5-12/h4-7H,8-11,18H2,1-3H3
InChI Key:
OFERYNIULZCFTG-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)(N)c1ccc(cc1)F)OC(C)(C)C
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Isotope Atom Count:
0
Molecular Weight:
294.37g/mol
Monoisotopic Mass:
294.174g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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