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1240584-34-2 | 1-Piperazinecarboxylic acid, 3-phenyl-, 1,1-dimethylethyl ester, (3R)-
CAS No: 1240584-34-2 Catalog No: AG000LHP MDL No:
Product Description
Catalog Number:
AG000LHP
Chemical Name:
1-Piperazinecarboxylic acid, 3-phenyl-, 1,1-dimethylethyl ester, (3R)-
CAS Number:
1240584-34-2
Molecular Formula:
C15H22N2O2
Molecular Weight:
262.3474
IUPAC Name:
tert-butyl (3R)-3-phenylpiperazine-1-carboxylate
InChI:
InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-9-16-13(11-17)12-7-5-4-6-8-12/h4-8,13,16H,9-11H2,1-3H3/t13-/m0/s1
InChI Key:
HRRFJZULVYGVNJ-ZDUSSCGKSA-N
SMILES:
O=C(N1CCN[C@@H](C1)c1ccccc1)OC(C)(C)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
262.168g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.353g/mol
Monoisotopic Mass:
262.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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