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

C11H14Cl2FNO — CID 46735703

IUPAC4-(4-chloro-2-fluorophenoxy)piperidine;hydrochloride
SMILESCl.Fc1cc(Cl)ccc1OC1CCNCC1
InChIInChI=1S/C11H13ClFNO.ClH/c12-8-1-2-11(10(13)7-8)15-9-3-5-14-6-4-9;/h1-2,7,9,14H,3-6H2;1H
InChIKeyWQNCGOSHYCTGIL-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.03
Rot. Bonds2

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

4-(4-chloro-2-fluorophenoxy)piperidine;hydrochloride (PubChem CID 46735703) has the molecular formula C11H14Cl2FNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenoxy)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenoxy)piperidine;hydrochloride
PubChem CID46735703
Molecular FormulaC11H14Cl2FNO
Molecular Weight266.14 g/mol
Exact Mass265.04
IUPAC Name4-(4-chloro-2-fluorophenoxy)piperidine;hydrochloride
SMILESCl.Fc1cc(Cl)ccc1OC1CCNCC1
InChIInChI=1S/C11H13ClFNO.ClH/c12-8-1-2-11(10(13)7-8)15-9-3-5-14-6-4-9;/h1-2,7,9,14H,3-6H2;1H
InChIKeyWQNCGOSHYCTGIL-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-chloro-2-fluorophenoxy)piperidine;hydrochloride 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;hydrochloride?
The IUPAC name of 4-(4-chloro-2-fluorophenoxy)piperidine;hydrochloride (CID 46735703) is 4-(4-chloro-2-fluorophenoxy)piperidine;hydrochloride.
What is the SMILES notation for 4-(4-chloro-2-fluorophenoxy)piperidine;hydrochloride?
The canonical SMILES for 4-(4-chloro-2-fluorophenoxy)piperidine;hydrochloride is Cl.Fc1cc(Cl)ccc1OC1CCNCC1.
What is the InChIKey of 4-(4-chloro-2-fluorophenoxy)piperidine;hydrochloride?
The InChIKey is WQNCGOSHYCTGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO.ClH/c12-8-1-2-11(10(13)7-8)15-9-3-5-14-6-4-9;/h1-2,7,9,14H,3-6H2;1H.
What are the key properties of 4-(4-chloro-2-fluorophenoxy)piperidine;hydrochloride?
4-(4-chloro-2-fluorophenoxy)piperidine;hydrochloride has a molecular weight of 266.14 g/mol, XLogP of 3.03, 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;hydrochloride is sourced from PubChem (CID 46735703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).