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1229000-10-5 | 1-Piperidinecarboxylic acid, 3-(1H-benzimidazol-2-yl)-, 1,1-dimethylethyl ester
CAS No: 1229000-10-5 Catalog No: AG000JR0 MDL No:MFCD17214278
Product Description
Catalog Number:
AG000JR0
Chemical Name:
1-Piperidinecarboxylic acid, 3-(1H-benzimidazol-2-yl)-, 1,1-dimethylethyl ester
CAS Number:
1229000-10-5
Molecular Formula:
C17H23N3O2
Molecular Weight:
301.3834
MDL Number:
MFCD17214278
IUPAC Name:
tert-butyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
InChI:
InChI=1S/C17H23N3O2/c1-17(2,3)22-16(21)20-10-6-7-12(11-20)15-18-13-8-4-5-9-14(13)19-15/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,18,19)
InChI Key:
NQJXCURWALTMNK-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(C1)c1nc2c([nH]1)cccc2)OC(C)(C)C
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.179g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.39g/mol
Monoisotopic Mass:
301.179g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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