4-(4-chloro-2-fluorophenoxy)piperidine

C11H13ClFNO — CID 22397423

IUPAC4-(4-chloro-2-fluorophenoxy)piperidine
SMILESFc1cc(Cl)ccc1OC1CCNCC1
InChIInChI=1S/C11H13ClFNO/c12-8-1-2-11(10(13)7-8)15-9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2
InChIKeyMIRJXYNRRGFRQS-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.61
Rot. Bonds2

About 4-(4-chloro-2-fluorophenoxy)piperidine

4-(4-chloro-2-fluorophenoxy)piperidine (PubChem CID 22397423) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenoxy)piperidine.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenoxy)piperidine
PubChem CID22397423
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name4-(4-chloro-2-fluorophenoxy)piperidine
SMILESFc1cc(Cl)ccc1OC1CCNCC1
InChIInChI=1S/C11H13ClFNO/c12-8-1-2-11(10(13)7-8)15-9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2
InChIKeyMIRJXYNRRGFRQS-UHFFFAOYSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-chloro-2-fluorophenoxy)piperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenoxy)piperidine?
The IUPAC name of 4-(4-chloro-2-fluorophenoxy)piperidine (CID 22397423) is 4-(4-chloro-2-fluorophenoxy)piperidine.
What is the SMILES notation for 4-(4-chloro-2-fluorophenoxy)piperidine?
The canonical SMILES for 4-(4-chloro-2-fluorophenoxy)piperidine is Fc1cc(Cl)ccc1OC1CCNCC1.
What is the InChIKey of 4-(4-chloro-2-fluorophenoxy)piperidine?
The InChIKey is MIRJXYNRRGFRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c12-8-1-2-11(10(13)7-8)15-9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2.
What are the key properties of 4-(4-chloro-2-fluorophenoxy)piperidine?
4-(4-chloro-2-fluorophenoxy)piperidine has a molecular weight of 229.68 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenoxy)piperidine is sourced from PubChem (CID 22397423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).