Ethyl 4-(4-BOC-piperazino)benzoate - CAS 234082-33-8
Catalog: |
BB065536 |
Product Name: |
Ethyl 4-(4-BOC-piperazino)benzoate |
CAS: |
234082-33-8 |
Synonyms: |
tert-Butyl 4-(4-(ethoxycarbonyl)phenyl)piperazine-1-carboxylate; Ethyl 4-(4-BOC-piperazino)benzoate; Tert-butyl 4-(4-ethoxycarbonylphenyl)piperazine-1-carboxylate |
IUPAC Name: | tert-butyl 4-(4-ethoxycarbonylphenyl)piperazine-1-carboxylate |
Description: | Ethyl 4-(4-BOC-piperazino)benzoate |
Molecular Weight: | 334.41 |
Molecular Formula: | C18H26N2O4 |
Canonical SMILES: | CCOC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C18H26N2O4/c1-5-23-16(21)14-6-8-15(9-7-14)19-10-12-20(13-11-19)17(22)24-18(2,3)4/h6-9H,5,10-13H2,1-4H3 |
InChI Key: | SBIWRFCYFYWFLT-UHFFFAOYSA-N |
Complexity: | 431 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 334.18925731 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 334.18925731 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 59.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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