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158985-36-5 | 1-Piperazinecarboxylic acid, 4-[4-(methoxycarbonyl)phenyl]-, 1,1-dimethylethyl ester
CAS No: 158985-36-5 Catalog No: AG001R2Y MDL No:MFCD06200865
Product Description
Catalog Number:
AG001R2Y
Chemical Name:
1-Piperazinecarboxylic acid, 4-[4-(methoxycarbonyl)phenyl]-, 1,1-dimethylethyl ester
CAS Number:
158985-36-5
Molecular Formula:
C17H24N2O4
Molecular Weight:
320.3835
MDL Number:
MFCD06200865
IUPAC Name:
tert-butyl 4-(4-methoxycarbonylphenyl)piperazine-1-carboxylate
InChI:
InChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-11-9-18(10-12-19)14-7-5-13(6-8-14)15(20)22-4/h5-8H,9-12H2,1-4H3
InChI Key:
SMDBCJAJWDCJOP-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.174g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.389g/mol
Monoisotopic Mass:
320.174g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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