Tert-butyl 4-(4-iodophenyl)piperazine-1-carboxylate

CAS No.	151978-66-4
MDL No.	MFCD06200864
MF	C₁₅H₂₁IN₂O₂
MW	388.24
InChI Key	ZOWJTZMYSLZILG-UHFFFAOYSA-N

PilotCapacity

98%+Purity

ReadyProduction Status

3 Apr 2025Updated

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Identifiers

Canonical SMILES	CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)I
Isomeric SMILES	CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)I
IUPAC Name	tert-butyl 4-(4-iodophenyl)piperazine-1-carboxylate
InChI	InChI=1S/C15H21IN2O2/c1-15(2,3)20-14(19)18-10-8-17(9-11-18)13-6-4-12(16)5-7-13/h4-7H,8-11H2,1-3H3
InChI Key	ZOWJTZMYSLZILG-UHFFFAOYSA-N

Computational Chemistry

Heavy Atom Count	20	Rotatable Bond Count	1
Atom Stereo Count	0	Bond Stereo Count	0
HBA	3	HBD	0
TPSA	32.780 Å²	Charge	0
Exact Mass	388.06478	Complexity	459.76
pKa	5.875	XLogP	3.348

Regulatory Information

Regulation	Name on File	Countries	Source
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