4-(3-iodophenoxymethyl)piperidine

4-(3-iodophenoxymethyl)piperidine

CAS: 1347292-97-0

Formula: C12H16INO

SMILES: IC1=CC=CC(OCC2CCNCC2)=C1

IUPAC: 4-[(3-iodophenoxy)methyl]piperidine

InChI: InChI=1S/C12H16INO/c13-11-2-1-3-12(8-11)15-9-10-4-6-14-7-5-10/h1-3,8,10,14H,4-7,9H2

Composition: C (45.44%), H (5.08%), I (40.01%), N (4.42%), O (5.04%)

Molar Mass: 317.17

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	317.02766
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HWENPBNMWORNHU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.86
Topological Polar Surface Area	21.26
Polarizability	27.9
Ring Count	2
Rotatable Bond Count	3

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