1-(2-fluoroethyl)-4-[(4-iodophenoxy)methyl]piperidine

C14H19FINO — CID 10808677

IUPAC1-(2-fluoroethyl)-4-[(4-iodophenoxy)methyl]piperidine
SMILESFCCN1CCC(COc2ccc(I)cc2)CC1
InChIInChI=1S/C14H19FINO/c15-7-10-17-8-5-12(6-9-17)11-18-14-3-1-13(16)2-4-14/h1-4,12H,5-11H2
InChIKeyOTGUFPDUGJBGGO-UHFFFAOYSA-N
MW363.21 g/mol
LogP3.35
Rot. Bonds5

About 1-(2-fluoroethyl)-4-[(4-iodophenoxy)methyl]piperidine

1-(2-fluoroethyl)-4-[(4-iodophenoxy)methyl]piperidine (PubChem CID 10808677) has the molecular formula C14H19FINO and a molecular weight of 363.21 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-[(4-iodophenoxy)methyl]piperidine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-[(4-iodophenoxy)methyl]piperidine
PubChem CID10808677
Molecular FormulaC14H19FINO
Molecular Weight363.21 g/mol
Exact Mass363.05
IUPAC Name1-(2-fluoroethyl)-4-[(4-iodophenoxy)methyl]piperidine
SMILESFCCN1CCC(COc2ccc(I)cc2)CC1
InChIInChI=1S/C14H19FINO/c15-7-10-17-8-5-12(6-9-17)11-18-14-3-1-13(16)2-4-14/h1-4,12H,5-11H2
InChIKeyOTGUFPDUGJBGGO-UHFFFAOYSA-N
XLogP3.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-[(4-iodophenoxy)methyl]piperidine?
The IUPAC name of 1-(2-fluoroethyl)-4-[(4-iodophenoxy)methyl]piperidine (CID 10808677) is 1-(2-fluoroethyl)-4-[(4-iodophenoxy)methyl]piperidine.
What is the SMILES notation for 1-(2-fluoroethyl)-4-[(4-iodophenoxy)methyl]piperidine?
The canonical SMILES for 1-(2-fluoroethyl)-4-[(4-iodophenoxy)methyl]piperidine is FCCN1CCC(COc2ccc(I)cc2)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-4-[(4-iodophenoxy)methyl]piperidine?
The InChIKey is OTGUFPDUGJBGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FINO/c15-7-10-17-8-5-12(6-9-17)11-18-14-3-1-13(16)2-4-14/h1-4,12H,5-11H2.
What are the key properties of 1-(2-fluoroethyl)-4-[(4-iodophenoxy)methyl]piperidine?
1-(2-fluoroethyl)-4-[(4-iodophenoxy)methyl]piperidine has a molecular weight of 363.21 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-[(4-iodophenoxy)methyl]piperidine is sourced from PubChem (CID 10808677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).