(2R)-2-(3-iodophenyl)piperidine

C11H14IN — CID 7048045

IUPAC(2R)-2-(3-iodophenyl)piperidine
SMILESIc1cccc([C@H]2CCCCN2)c1
InChIInChI=1S/C11H14IN/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h3-5,8,11,13H,1-2,6-7H2/t11-/m1/s1
InChIKeyPYJGNOJFRGJSEX-LLVKDONJSA-N
MW287.14 g/mol
LogP3.11
Rot. Bonds1

About (2R)-2-(3-iodophenyl)piperidine

(2R)-2-(3-iodophenyl)piperidine (PubChem CID 7048045) has the molecular formula C11H14IN and a molecular weight of 287.14 g/mol. Its IUPAC name is (2R)-2-(3-iodophenyl)piperidine.

Molecular Properties

Compound Name(2R)-2-(3-iodophenyl)piperidine
PubChem CID7048045
Molecular FormulaC11H14IN
Molecular Weight287.14 g/mol
Exact Mass287.02
IUPAC Name(2R)-2-(3-iodophenyl)piperidine
SMILESIc1cccc([C@H]2CCCCN2)c1
InChIInChI=1S/C11H14IN/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h3-5,8,11,13H,1-2,6-7H2/t11-/m1/s1
InChIKeyPYJGNOJFRGJSEX-LLVKDONJSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-iodophenyl)pyrrolidine;hydrochloride
CID 154803675
3-[(2S)-piperidin-2-yl]phenol
CID 55277853
(2R)-2-(3-chlorophenyl)piperidine;hydrochloride
CID 154574647
(2R)-2-(3-methylphenyl)azepane
CID 7048257
(2S)-2-phenylpiperidine
CID 10997356
2-(3-chlorophenyl)azepane;hydrochloride
CID 46835309
(2S)-2-(3-phenylphenyl)piperidine;hydrochloride
CID 171195217
(2R)-2-(3-ethenylphenyl)piperidine
CID 131060850
2-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine
CID 117431747
2-iodo-4-[(2S)-piperidin-2-yl]phenol
CID 130646263
1-(3-piperidin-2-ylphenyl)ethanol
CID 117116288
N-(3-piperidin-2-ylphenyl)sulfanylmethanamine
CID 131995035

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-iodophenyl)piperidine?
The IUPAC name of (2R)-2-(3-iodophenyl)piperidine (CID 7048045) is (2R)-2-(3-iodophenyl)piperidine.
What is the SMILES notation for (2R)-2-(3-iodophenyl)piperidine?
The canonical SMILES for (2R)-2-(3-iodophenyl)piperidine is Ic1cccc([C@H]2CCCCN2)c1.
What is the InChIKey of (2R)-2-(3-iodophenyl)piperidine?
The InChIKey is PYJGNOJFRGJSEX-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14IN/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h3-5,8,11,13H,1-2,6-7H2/t11-/m1/s1.
What are the key properties of (2R)-2-(3-iodophenyl)piperidine?
(2R)-2-(3-iodophenyl)piperidine has a molecular weight of 287.14 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-iodophenyl)piperidine is sourced from PubChem (CID 7048045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).