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206274-13-7 | 1-Piperidinecarboxylic acid, 4-(cyclohexylamino)-, 1,1-dimethylethyl ester
CAS No: 206274-13-7 Catalog No: AG002IEN MDL No:MFCD04114960
Product Description
Catalog Number:
AG002IEN
Chemical Name:
1-Piperidinecarboxylic acid, 4-(cyclohexylamino)-, 1,1-dimethylethyl ester
CAS Number:
206274-13-7
Molecular Formula:
C16H30N2O2
Molecular Weight:
282.4216
MDL Number:
MFCD04114960
IUPAC Name:
tert-butyl 4-(cyclohexylamino)piperidine-1-carboxylate
InChI:
InChI=1S/C16H30N2O2/c1-16(2,3)20-15(19)18-11-9-14(10-12-18)17-13-7-5-4-6-8-13/h13-14,17H,4-12H2,1-3H3
InChI Key:
PBRXMHYPIOUDLQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)NC1CCCCC1)OC(C)(C)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.231g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.428g/mol
Monoisotopic Mass:
282.231g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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