tert-butyl 4-(3,5-dibromophenoxymethyl)piperidine-1-carboxylate

tert-butyl 4-(3,5-dibromophenoxymethyl)piperidine-1-carboxylate

CAS: 1257665-16-9

Formula: C17H23Br2NO3

SMILES: CC(C)(C)OC(=O)N1CCC(COC2=CC(Br)=CC(Br)=C2)CC1

IUPAC: tert-butyl 4-[(3,5-dibromophenoxy)methyl]piperidine-1-carboxylate

InChI: InChI=1S/C17H23Br2NO3/c1-17(2,3)23-16(21)20-6-4-12(5-7-20)11-22-15-9-13(18)8-14(19)10-15/h8-10,12H,4-7,11H2,1-3H3

Composition: C (45.46%), H (5.16%), Br (35.58%), N (3.12%), O (10.69%)

Molar Mass: 449.183

Atom Count: 46

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	447.00447
Formal Charge	0
FSP3	0.59
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	KFYHCQLOMWOCOI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.74
Topological Polar Surface Area	38.77
Polarizability	38.16
Ring Count	2
Rotatable Bond Count	5

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