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193818-13-2,MFCD06657287
Catalog No.:AA003I0A
193818-13-2 | 3-(4-Boc-piperazin-1-yl)benzoic acid
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Technical Information
Catalog Number:
AA003I0A
Chemical Name:
3-(4-Boc-piperazin-1-yl)benzoic acid
CAS Number:
193818-13-2
Molecular Formula:
C16H22N2O4
Molecular Weight:
306.3569
MDL Number:
MFCD06657287
IUPAC Name:
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
InChI:
InChI=1S/C16H22N2O4/c1-16(2,3)22-15(21)18-9-7-17(8-10-18)13-6-4-5-12(11-13)14(19)20/h4-6,11H,7-10H2,1-3H3,(H,19,20)
InChI Key:
CUQKZVZRDLXPHZ-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1cccc(c1)C(=O)O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
411  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.158g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
306.362g/mol
Monoisotopic Mass:
306.158g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
193818-13-2 
3-(4-Boc-1-piperazinyl)benzoic Acid 
3-(4-(tert-butoxycarbonyl)piperazin-1-yl)benzoicacid 
CTK4E1358 
DTXSID80660868 
CUQKZVZRDLXPHZ-UHFFFAOYSA-N 
0041AB 
MFCD06657287 
RW3807 
ZINC39952770 
1-Boc-4-(3-carboxyphenyl)piperazine 
AKOS015841639 
3-(4-(tert-butoxycarbonyl)piperazin-1-yl)benzoic acid 
1-Boc-4-(3-carboxyphenyl)-piperazine 
CB-4099 
QC-3263 
TRA0087599 
ACM193818132 
SC-58677 
SY004662 
AB0048065 
AB1000169 
AJ-101332 
3-(4-BOC-PIPERAZIN-1-YL)BENZOIC ACID 
AX8083399 
DB-065833 
TC-065265 
4CH-004265 
A4265 
FT-0604275 
S-0196 
MFCD06657287 (97+%) 
3-(4 -t-Butoxycarbonyl-1-piperizinyl)benzoic acid 
I13-0269 
1-(3-carboxyphenyl)-4-Boc piperazine 
tert-butyl 4-(3-carboxyphenyl)piperazine-1-carboxylate 
3-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}benzoic acid 
3-[4-(tert-Butoxycarbonyl)-1-piperazinyl]benzoic acid, AldrichCPR 
4-(3-Carboxy-phenyl)-piperazine-1-carboxylic acid tert-butyl ester 
1-Piperazinecarboxylicacid,4-(3-carboxyphenyl)-,1-(1,1-dimethylethyl)ester 
4-(3-carboxyphenyl)-1-Piperazinecarboxylic acid 1-(1,1-dimethylethyl)ester 
1-Piperazinecarboxylicacid, 4-(3-carboxyphenyl)-, 1-(1,1-dimethylethyl) ester 
null 
C16H22N2O4 
CS-4044 
3-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid 
3-[4-(TERTBUTOXYCARBONYL)PIPERAZIN-1-YL]BENZOIC ACID 
3-(4-Boc-piperazin-1-yl)benzoicacid 
PubChem12221 
SCHEMBL62718 
Literature
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