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1258637-94-3 | 1-Piperidinecarboxylic acid, 4-(2-amino-1,1-difluoroethyl)-, 1,1-dimethylethyl ester
CAS No: 1258637-94-3 Catalog No: AG000OVR MDL No:
Product Description
Catalog Number:
AG000OVR
Chemical Name:
1-Piperidinecarboxylic acid, 4-(2-amino-1,1-difluoroethyl)-, 1,1-dimethylethyl ester
CAS Number:
1258637-94-3
Molecular Formula:
C12H22F2N2O2
Molecular Weight:
264.3121
IUPAC Name:
tert-butyl 4-(2-amino-1,1-difluoroethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C12H22F2N2O2/c1-11(2,3)18-10(17)16-6-4-9(5-7-16)12(13,14)8-15/h9H,4-8,15H2,1-3H3
InChI Key:
JPAFVXCGQPKXSN-UHFFFAOYSA-N
SMILES:
NCC(C1CCN(CC1)C(=O)OC(C)(C)C)(F)F
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.165g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.317g/mol
Monoisotopic Mass:
264.165g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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