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287395-90-8 | 1-Piperidinecarboxylic acid, 4-(1H-benzimidazol-6-yloxy)-, 1,1-dimethylethyl ester
CAS No: 287395-90-8 Catalog No: AG002WAY MDL No:
Product Description
Catalog Number:
AG002WAY
Chemical Name:
1-Piperidinecarboxylic acid, 4-(1H-benzimidazol-6-yloxy)-, 1,1-dimethylethyl ester
CAS Number:
287395-90-8
Molecular Formula:
C17H23N3O3
Molecular Weight:
317.3828
IUPAC Name:
tert-butyl 4-(3H-benzimidazol-5-yloxy)piperidine-1-carboxylate
InChI:
InChI=1S/C17H23N3O3/c1-17(2,3)23-16(21)20-8-6-12(7-9-20)22-13-4-5-14-15(10-13)19-11-18-14/h4-5,10-12H,6-9H2,1-3H3,(H,18,19)
InChI Key:
PMRZPXZIRWTDAE-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)Oc1ccc2c(c1)[nH]cn2)OC(C)(C)C
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.174g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.389g/mol
Monoisotopic Mass:
317.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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