2-iodo-4-[(2S)-piperidin-2-yl]phenol

C11H14INO — CID 130646263

IUPAC2-iodo-4-[(2S)-piperidin-2-yl]phenol
SMILESOc1ccc([C@@H]2CCCCN2)cc1I
InChIInChI=1S/C11H14INO/c12-9-7-8(4-5-11(9)14)10-3-1-2-6-13-10/h4-5,7,10,13-14H,1-3,6H2/t10-/m0/s1
InChIKeyUZVAUAQBQVTRCI-JTQLQIEISA-N
MW303.14 g/mol
LogP2.81
Rot. Bonds1

About 2-iodo-4-[(2S)-piperidin-2-yl]phenol

2-iodo-4-[(2S)-piperidin-2-yl]phenol (PubChem CID 130646263) has the molecular formula C11H14INO and a molecular weight of 303.14 g/mol. Its IUPAC name is 2-iodo-4-[(2S)-piperidin-2-yl]phenol.

Molecular Properties

Compound Name2-iodo-4-[(2S)-piperidin-2-yl]phenol
PubChem CID130646263
Molecular FormulaC11H14INO
Molecular Weight303.14 g/mol
Exact Mass303.01
IUPAC Name2-iodo-4-[(2S)-piperidin-2-yl]phenol
SMILESOc1ccc([C@@H]2CCCCN2)cc1I
InChIInChI=1S/C11H14INO/c12-9-7-8(4-5-11(9)14)10-3-1-2-6-13-10/h4-5,7,10,13-14H,1-3,6H2/t10-/m0/s1
InChIKeyUZVAUAQBQVTRCI-JTQLQIEISA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2S)-azetidin-2-yl]-2-iodophenol
CID 131093633
2-methyl-4-[(2R)-piperidin-2-yl]phenol
CID 131198389
4-[(2S)-pyrrolidin-2-yl]benzene-1,2-diol
CID 66518287
2-bromo-5-[(2R)-piperidin-2-yl]phenol
CID 130699877
2-fluoro-5-[(2S)-piperidin-2-yl]phenol
CID 131076447
4-piperidin-2-ylphenol
CID 19711202
2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol
CID 66519672
2-amino-4-[(2R)-pyrrolidin-2-yl]phenol
CID 66518284
2-(4-bromo-3-iodophenyl)pyrrolidine
CID 130043760
2-methyl-4-pyrrolidin-2-ylphenol
CID 55283669
2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171195910
6-[(2R)-piperidin-2-yl]naphthalen-2-ol
CID 171195375

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-[(2S)-piperidin-2-yl]phenol?
The IUPAC name of 2-iodo-4-[(2S)-piperidin-2-yl]phenol (CID 130646263) is 2-iodo-4-[(2S)-piperidin-2-yl]phenol.
What is the SMILES notation for 2-iodo-4-[(2S)-piperidin-2-yl]phenol?
The canonical SMILES for 2-iodo-4-[(2S)-piperidin-2-yl]phenol is Oc1ccc([C@@H]2CCCCN2)cc1I.
What is the InChIKey of 2-iodo-4-[(2S)-piperidin-2-yl]phenol?
The InChIKey is UZVAUAQBQVTRCI-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14INO/c12-9-7-8(4-5-11(9)14)10-3-1-2-6-13-10/h4-5,7,10,13-14H,1-3,6H2/t10-/m0/s1.
What are the key properties of 2-iodo-4-[(2S)-piperidin-2-yl]phenol?
2-iodo-4-[(2S)-piperidin-2-yl]phenol has a molecular weight of 303.14 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-[(2S)-piperidin-2-yl]phenol is sourced from PubChem (CID 130646263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).