benzyl 3-iodopiperidine-1-carboxylate

benzyl 3-iodopiperidine-1-carboxylate

CAS: 1353944-49-6

Formula: C13H16INO2

SMILES: IC1CCCN(C1)C(=O)OCC1=CC=CC=C1

IUPAC: benzyl 3-iodopiperidine-1-carboxylate

InChI: InChI=1/C13H16INO2/c14-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2

Composition: C (45.24%), H (4.67%), I (36.76%), N (4.06%), O (9.27%)

Molar Mass: 345.18

Atom Count: 33

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	345.02257
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	AEWKGKKUTPDGLB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.41
Topological Polar Surface Area	29.54
Polarizability	29.37
Ring Count	2
Rotatable Bond Count	3

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