1-(3-fluorophenyl)-4-iodopiperidin-4-ol

C11H13FINO — CID 167250481

IUPAC1-(3-fluorophenyl)-4-iodopiperidin-4-ol
SMILESOC1(I)CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C11H13FINO/c12-9-2-1-3-10(8-9)14-6-4-11(13,15)5-7-14/h1-3,8,15H,4-7H2
InChIKeyDFVZVGBTBNRWEL-UHFFFAOYSA-N
MW321.13 g/mol
LogP2.55
Rot. Bonds1

About 1-(3-fluorophenyl)-4-iodopiperidin-4-ol

1-(3-fluorophenyl)-4-iodopiperidin-4-ol (PubChem CID 167250481) has the molecular formula C11H13FINO and a molecular weight of 321.13 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4-iodopiperidin-4-ol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4-iodopiperidin-4-ol
PubChem CID167250481
Molecular FormulaC11H13FINO
Molecular Weight321.13 g/mol
Exact Mass321.00
IUPAC Name1-(3-fluorophenyl)-4-iodopiperidin-4-ol
SMILESOC1(I)CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C11H13FINO/c12-9-2-1-3-10(8-9)14-6-4-11(13,15)5-7-14/h1-3,8,15H,4-7H2
InChIKeyDFVZVGBTBNRWEL-UHFFFAOYSA-N
XLogP2.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.13
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4-iodopiperidin-4-ol?
The IUPAC name of 1-(3-fluorophenyl)-4-iodopiperidin-4-ol (CID 167250481) is 1-(3-fluorophenyl)-4-iodopiperidin-4-ol.
What is the SMILES notation for 1-(3-fluorophenyl)-4-iodopiperidin-4-ol?
The canonical SMILES for 1-(3-fluorophenyl)-4-iodopiperidin-4-ol is OC1(I)CCN(c2cccc(F)c2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-4-iodopiperidin-4-ol?
The InChIKey is DFVZVGBTBNRWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FINO/c12-9-2-1-3-10(8-9)14-6-4-11(13,15)5-7-14/h1-3,8,15H,4-7H2.
What are the key properties of 1-(3-fluorophenyl)-4-iodopiperidin-4-ol?
1-(3-fluorophenyl)-4-iodopiperidin-4-ol has a molecular weight of 321.13 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-4-iodopiperidin-4-ol is sourced from PubChem (CID 167250481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).