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tert-butyl 3-(2-bromoethyl)piperidine-1-carboxylate

tert-butyl 3-(2-bromoethyl)piperidine-1-carboxylate

CAS: 210564-54-8

Formula: C12H22BrNO2

SMILES: CC(C)(C)OC(=O)N1CCCC(CCBr)C1

IUPAC: tert-butyl 3-(2-bromoethyl)piperidine-1-carboxylate

InChI: InChI=1/C12H22BrNO2/c1-12(2,3)16-11(15)14-8-4-5-10(9-14)6-7-13/h10H,4-9H2,1-3H3

Composition: C (49.32%), H (7.59%), Br (27.34%), N (4.79%), O (10.95%)

Molar Mass: 292.217

Atom Count: 38

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 291.083392
Formal Charge 0
FSP3 0.92
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey SRWFLHHXMSGSSU-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.87
Topological Polar Surface Area 29.54
Polarizability 26.74
Ring Count 1
Rotatable Bond Count 4

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