AG00IFC1

886767-25-5 | 3-(4-Fluoro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

AG00IFC1

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CAS Number	886767-25-5
Catalog Number	AG00IFC1(AGN-PC-07HBO4)
Chemical Name	3-(4-Fluoro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester
IUPAC Name	tert-butyl 3-(4-fluorophenyl)piperazine-1-carboxylate
InChI	InChI=1S/C15H21FN2O2/c1-15(2,3)20-14(19)18-9-8-17-13(10-18)11-4-6-12(16)7-5-11/h4-7,13,17H,8-10H2,1-3H3
InChI Key	CFBUTNFXRFULBP-UHFFFAOYSA-N
MDL Number	MFCD08685992
Molecular Formula	C15H21FN2O2
Molecular Weight	280.3378
SMILES	CC(OC(N1CC(C2=CC=C(F)C=C2)NCC1)=O)(C)C
Synonyms	886767-25-5, tert-Butyl 3-(4-fluorophenyl)piperazine-1-carboxylate, 1-BOC-3-(4-FLUOROPHENYL)PIPERAZINE, 3-(4-Fluoro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester, (r)-1-boc-3-(4-fluorophenyl)piperazine, 1228559-51-0, SCHEMBL3694375, KS-00001PFJ, DTXSID10672333, ACT10522, 4556AC, BBL101117, MFCD08685992, STL554913, AKOS005256658, 1-N-Boc-3-(4-fluorophenyl)piperazine, AB46296, MCULE-4029418182, AS-35473, AB0007672, X-2500, 3-(4-Fluoro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester, AldrichCPR, C15H21FN2O2, tert-Butyl3-(4-fluorophenyl)piperazine-1-carboxylate,

Complexity	335
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	280.159g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	280.343g/mol
Monoisotopic Mass	280.159g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
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