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173469-30-2 | 1-Piperidinecarboxylic acid, 4-hydroxy-4-(1H-imidazol-5-yl)-, 1,1-dimethylethyl ester
CAS No: 173469-30-2 Catalog No: AG001YXZ MDL No:
Product Description
Catalog Number:
AG001YXZ
Chemical Name:
1-Piperidinecarboxylic acid, 4-hydroxy-4-(1H-imidazol-5-yl)-, 1,1-dimethylethyl ester
CAS Number:
173469-30-2
Molecular Formula:
C13H21N3O3
Molecular Weight:
267.3241
IUPAC Name:
tert-butyl 4-hydroxy-4-(1H-imidazol-5-yl)piperidine-1-carboxylate
InChI:
InChI=1S/C13H21N3O3/c1-12(2,3)19-11(17)16-6-4-13(18,5-7-16)10-8-14-9-15-10/h8-9,18H,4-7H2,1-3H3,(H,14,15)
InChI Key:
DKRXNASSCMPJDV-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)(O)c1[nH]cnc1)OC(C)(C)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.158g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.329g/mol
Monoisotopic Mass:
267.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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