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179250-28-3 | 1-Piperazinecarboxylic acid, 4-[2-(hydroxymethyl)phenyl]-, 1,1-dimethylethyl ester
CAS No: 179250-28-3 Catalog No: AG0026WA MDL No:MFCD06657282
Product Description
Catalog Number:
AG0026WA
Chemical Name:
1-Piperazinecarboxylic acid, 4-[2-(hydroxymethyl)phenyl]-, 1,1-dimethylethyl ester
CAS Number:
179250-28-3
Molecular Formula:
C16H24N2O3
Molecular Weight:
292.3734
MDL Number:
MFCD06657282
IUPAC Name:
tert-butyl 4-[2-(hydroxymethyl)phenyl]piperazine-1-carboxylate
InChI:
InChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)18-10-8-17(9-11-18)14-7-5-4-6-13(14)12-19/h4-7,19H,8-12H2,1-3H3
InChI Key:
MQZUQGHXDLMAKT-UHFFFAOYSA-N
SMILES:
OCc1ccccc1N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.179g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.379g/mol
Monoisotopic Mass:
292.179g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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