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tert-butyl 4-(2-bromopyridin-4-yl)piperazine-1-carboxylate

tert-butyl 4-(2-bromopyridin-4-yl)piperazine-1-carboxylate

CAS: 1266118-96-0

Formula: C14H20BrN3O2

SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C1=CC(Br)=NC=C1

IUPAC: tert-butyl 4-(2-bromopyridin-4-yl)piperazine-1-carboxylate

InChI: InChI=1S/C14H20BrN3O2/c1-14(2,3)20-13(19)18-8-6-17(7-9-18)11-4-5-16-12(15)10-11/h4-5,10H,6-9H2,1-3H3

Composition: C (49.13%), H (5.89%), Br (23.35%), N (12.28%), O (9.35%)

Molar Mass: 342.237

Atom Count: 40

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 341.07389
Formal Charge 0
FSP3 0.57
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey ZGFWKVSJYHFRGW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 82.55
Topological Polar Surface Area 45.67
Polarizability 31.21
Ring Count 2
Rotatable Bond Count 3

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