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887587-63-5 | 1-Piperidinecarboxylicacid, 2-[[(3-bromophenyl)amino]methyl]-, 1,1-dimethylethyl ester
CAS No: 887587-63-5 Catalog No: AG004BWQ MDL No:
Product Description
Catalog Number:
AG004BWQ
Chemical Name:
1-Piperidinecarboxylicacid, 2-[[(3-bromophenyl)amino]methyl]-, 1,1-dimethylethyl ester
CAS Number:
887587-63-5
Molecular Formula:
C17H25BrN2O2
Molecular Weight:
369.2966
IUPAC Name:
tert-butyl 2-[(3-bromoanilino)methyl]piperidine-1-carboxylate
InChI:
InChI=1S/C17H25BrN2O2/c1-17(2,3)22-16(21)20-10-5-4-9-15(20)12-19-14-8-6-7-13(18)11-14/h6-8,11,15,19H,4-5,9-10,12H2,1-3H3
InChI Key:
CRQSYKAYDAEWFW-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)NCC1CCCCN1C(=O)OC(C)(C)C
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.11g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.303g/mol
Monoisotopic Mass:
368.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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