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887586-47-2 | 1-Piperidinecarboxylicacid, 3-[(cyclohexylamino)methyl]-, 1,1-dimethylethyl ester
CAS No: 887586-47-2 Catalog No: AG004DQL MDL No:
Product Description
Catalog Number:
AG004DQL
Chemical Name:
1-Piperidinecarboxylicacid, 3-[(cyclohexylamino)methyl]-, 1,1-dimethylethyl ester
CAS Number:
887586-47-2
Molecular Formula:
C17H32N2O2
Molecular Weight:
296.4482
IUPAC Name:
tert-butyl 3-[(cyclohexylamino)methyl]piperidine-1-carboxylate
InChI:
InChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)19-11-7-8-14(13-19)12-18-15-9-5-4-6-10-15/h14-15,18H,4-13H2,1-3H3
InChI Key:
PECOMPUWVKAXGD-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(C1)CNC1CCCCC1)OC(C)(C)C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.246g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.455g/mol
Monoisotopic Mass:
296.246g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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