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158654-89-8 | 1-Piperidinecarboxylic acid, 4-(1H-imidazol-1-yl)-, 1,1-dimethylethyl ester
CAS No: 158654-89-8 Catalog No: AG001QPY MDL No:
Product Description
Catalog Number:
AG001QPY
Chemical Name:
1-Piperidinecarboxylic acid, 4-(1H-imidazol-1-yl)-, 1,1-dimethylethyl ester
CAS Number:
158654-89-8
Molecular Formula:
C13H21N3O2
Molecular Weight:
251.3247
IUPAC Name:
tert-butyl 4-imidazol-1-ylpiperidine-1-carboxylate
InChI:
InChI=1S/C13H21N3O2/c1-13(2,3)18-12(17)15-7-4-11(5-8-15)16-9-6-14-10-16/h6,9-11H,4-5,7-8H2,1-3H3
InChI Key:
YLFYBXKESJJUMP-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)n1cncc1)OC(C)(C)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.163g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.33g/mol
Monoisotopic Mass:
251.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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