3-(3-chloro-5-iodophenyl)piperidine

C11H13ClIN — CID 130001229

IUPAC3-(3-chloro-5-iodophenyl)piperidine
SMILESClc1cc(I)cc(C2CCCNC2)c1
InChIInChI=1S/C11H13ClIN/c12-10-4-9(5-11(13)6-10)8-2-1-3-14-7-8/h4-6,8,14H,1-3,7H2
InChIKeyUAUNBRZVHKJRME-UHFFFAOYSA-N
MW321.59 g/mol
LogP3.41
Rot. Bonds1

About 3-(3-chloro-5-iodophenyl)piperidine

3-(3-chloro-5-iodophenyl)piperidine (PubChem CID 130001229) has the molecular formula C11H13ClIN and a molecular weight of 321.59 g/mol. Its IUPAC name is 3-(3-chloro-5-iodophenyl)piperidine.

Molecular Properties

Compound Name3-(3-chloro-5-iodophenyl)piperidine
PubChem CID130001229
Molecular FormulaC11H13ClIN
Molecular Weight321.59 g/mol
Exact Mass320.98
IUPAC Name3-(3-chloro-5-iodophenyl)piperidine
SMILESClc1cc(I)cc(C2CCCNC2)c1
InChIInChI=1S/C11H13ClIN/c12-10-4-9(5-11(13)6-10)8-2-1-3-14-7-8/h4-6,8,14H,1-3,7H2
InChIKeyUAUNBRZVHKJRME-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.59
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(3-chloro-5-iodophenyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-chloro-5-fluorophenyl)piperidine
CID 24904336
2-chloro-6-methyl-4-piperidin-3-ylphenol
CID 84690213
(3S)-3-(2,5-dichlorophenyl)piperidine
CID 93478490
(3R)-3-(2-bromo-5-iodophenyl)piperidine
CID 131218525
3-[3,5-bis(trifluoromethyl)phenyl]piperidine
CID 45073834
3-chloro-4-piperidin-3-ylphenol
CID 82612870
3-(3-iodophenyl)pyrrolidine;hydrochloride
CID 169498448
3-(3-fluoro-5-methylphenyl)piperidine
CID 79003681
4,6-dichloro-3-piperidin-3-yl-1H-indole
CID 82212349
(3S)-3-(4-chloro-3-iodophenyl)pyrrolidine
CID 131162893
3-[3-chloro-5-(cyclobutylmethoxy)phenyl]pyrrolidine
CID 117418768
2,5-dichloro-4-piperidin-3-ylpyridine
CID 84694263

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-iodophenyl)piperidine?
The IUPAC name of 3-(3-chloro-5-iodophenyl)piperidine (CID 130001229) is 3-(3-chloro-5-iodophenyl)piperidine.
What is the SMILES notation for 3-(3-chloro-5-iodophenyl)piperidine?
The canonical SMILES for 3-(3-chloro-5-iodophenyl)piperidine is Clc1cc(I)cc(C2CCCNC2)c1.
What is the InChIKey of 3-(3-chloro-5-iodophenyl)piperidine?
The InChIKey is UAUNBRZVHKJRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClIN/c12-10-4-9(5-11(13)6-10)8-2-1-3-14-7-8/h4-6,8,14H,1-3,7H2.
What are the key properties of 3-(3-chloro-5-iodophenyl)piperidine?
3-(3-chloro-5-iodophenyl)piperidine has a molecular weight of 321.59 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-iodophenyl)piperidine is sourced from PubChem (CID 130001229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).