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tert-butyl 4-(4-bromobutyl)piperidine-1-carboxylate

tert-butyl 4-(4-bromobutyl)piperidine-1-carboxylate

CAS: 142355-81-5

Formula: C14H26BrNO2

SMILES: CC(C)(C)OC(=O)N1CCC(CCCCBr)CC1

IUPAC: tert-butyl 4-(4-bromobutyl)piperidine-1-carboxylate

InChI: InChI=1S/C14H26BrNO2/c1-14(2,3)18-13(17)16-10-7-12(8-11-16)6-4-5-9-15/h12H,4-11H2,1-3H3

Composition: C (52.50%), H (8.18%), Br (24.95%), N (4.37%), O (9.99%)

Molar Mass: 320.271

Atom Count: 44

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 319.114692
Formal Charge 0
FSP3 0.93
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey VRSNDRCACPSZIP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.15
Topological Polar Surface Area 29.54
Polarizability 30.38
Ring Count 1
Rotatable Bond Count 6

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