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846605-66-1 | 1-Piperidinecarboxylic acid, 4-[[(4-bromophenyl)methyl]amino]-,1,1-dimethylethyl ester
CAS No: 846605-66-1 Catalog No: AG004SZD MDL No:
Product Description
Catalog Number:
AG004SZD
Chemical Name:
1-Piperidinecarboxylic acid, 4-[[(4-bromophenyl)methyl]amino]-,1,1-dimethylethyl ester
CAS Number:
846605-66-1
Molecular Formula:
C17H25BrN2O2
Molecular Weight:
369.2966
IUPAC Name:
tert-butyl 4-[(4-bromophenyl)methylamino]piperidine-1-carboxylate
InChI:
InChI=1S/C17H25BrN2O2/c1-17(2,3)22-16(21)20-10-8-15(9-11-20)19-12-13-4-6-14(18)7-5-13/h4-7,15,19H,8-12H2,1-3H3
InChI Key:
FIMXQBKKMLARJD-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)NCc1ccc(cc1)Br)OC(C)(C)C
Properties
Complexity:
354
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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