3-(2-iodophenoxy)piperidine

C11H14INO — CID 56831165

IUPAC3-(2-iodophenoxy)piperidine
SMILESIc1ccccc1OC1CCCNC1
InChIInChI=1S/C11H14INO/c12-10-5-1-2-6-11(10)14-9-4-3-7-13-8-9/h1-2,5-6,9,13H,3-4,7-8H2
InChIKeyHJYWQAGUADLUAS-UHFFFAOYSA-N
MW303.14 g/mol
LogP2.42
Rot. Bonds2

About 3-(2-iodophenoxy)piperidine

3-(2-iodophenoxy)piperidine (PubChem CID 56831165) has the molecular formula C11H14INO and a molecular weight of 303.14 g/mol. Its IUPAC name is 3-(2-iodophenoxy)piperidine.

Molecular Properties

Compound Name3-(2-iodophenoxy)piperidine
PubChem CID56831165
Molecular FormulaC11H14INO
Molecular Weight303.14 g/mol
Exact Mass303.01
IUPAC Name3-(2-iodophenoxy)piperidine
SMILESIc1ccccc1OC1CCCNC1
InChIInChI=1S/C11H14INO/c12-10-5-1-2-6-11(10)14-9-4-3-7-13-8-9/h1-2,5-6,9,13H,3-4,7-8H2
InChIKeyHJYWQAGUADLUAS-UHFFFAOYSA-N
XLogP2.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(2-iodophenoxy)azetidine
CID 53409227
(3R)-3-(2-piperidin-4-ylphenoxy)piperidine
CID 58817373
(3R)-3-phenoxypiperidine
CID 42553363
3-(2-ethoxyphenoxy)piperidine;hydrochloride
CID 118366272
3-(2-iodo-4-nitrophenoxy)piperidine
CID 66093717
4-piperidin-3-yloxy-2,3-dihydro-1H-isoindole
CID 115075917
(3R)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)piperidine
CID 26191291
N-methyl-2-piperidin-3-yloxybenzenesulfonamide
CID 62348851
3-(1-benzofuran-3-yloxy)piperidine
CID 176569963
8-[(3R)-piperidin-3-yl]oxyquinoline
CID 26191562
3-(2-bromo-4-fluorophenoxy)piperidine
CID 24902400
3-(2-chloro-4-phenylphenoxy)piperidine;hydrochloride
CID 56830793

Frequently Asked Questions

What is the IUPAC name of 3-(2-iodophenoxy)piperidine?
The IUPAC name of 3-(2-iodophenoxy)piperidine (CID 56831165) is 3-(2-iodophenoxy)piperidine.
What is the SMILES notation for 3-(2-iodophenoxy)piperidine?
The canonical SMILES for 3-(2-iodophenoxy)piperidine is Ic1ccccc1OC1CCCNC1.
What is the InChIKey of 3-(2-iodophenoxy)piperidine?
The InChIKey is HJYWQAGUADLUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO/c12-10-5-1-2-6-11(10)14-9-4-3-7-13-8-9/h1-2,5-6,9,13H,3-4,7-8H2.
What are the key properties of 3-(2-iodophenoxy)piperidine?
3-(2-iodophenoxy)piperidine has a molecular weight of 303.14 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iodophenoxy)piperidine is sourced from PubChem (CID 56831165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).