2-(2-chloro-4-fluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine

C17H18ClFN2O2 — CID 24776013

IUPAC2-(2-chloro-4-fluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
SMILESFc1ccc(Oc2ncccc2OC[C@H]2CCCNC2)c(Cl)c1
InChIInChI=1S/C17H18ClFN2O2/c18-14-9-13(19)5-6-15(14)23-17-16(4-2-8-21-17)22-11-12-3-1-7-20-10-12/h2,4-6,8-9,12,20H,1,3,7,10-11H2/t12-/m0/s1
InChIKeyWTUDMDLYFRMHOV-LBPRGKRZSA-N
MW336.79 g/mol
LogP4.04
Rot. Bonds5

About 2-(2-chloro-4-fluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine

2-(2-chloro-4-fluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine (PubChem CID 24776013) has the molecular formula C17H18ClFN2O2 and a molecular weight of 336.79 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
PubChem CID24776013
Molecular FormulaC17H18ClFN2O2
Molecular Weight336.79 g/mol
Exact Mass336.10
IUPAC Name2-(2-chloro-4-fluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
SMILESFc1ccc(Oc2ncccc2OC[C@H]2CCCNC2)c(Cl)c1
InChIInChI=1S/C17H18ClFN2O2/c18-14-9-13(19)5-6-15(14)23-17-16(4-2-8-21-17)22-11-12-3-1-7-20-10-12/h2,4-6,8-9,12,20H,1,3,7,10-11H2/t12-/m0/s1
InChIKeyWTUDMDLYFRMHOV-LBPRGKRZSA-N
XLogP4.04
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-chloro-4-fluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine 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 2-(2-chloro-4-fluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine (CID 24776013) is 2-(2-chloro-4-fluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine is Fc1ccc(Oc2ncccc2OC[C@H]2CCCNC2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
The InChIKey is WTUDMDLYFRMHOV-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18ClFN2O2/c18-14-9-13(19)5-6-15(14)23-17-16(4-2-8-21-17)22-11-12-3-1-7-20-10-12/h2,4-6,8-9,12,20H,1,3,7,10-11H2/t12-/m0/s1.
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
2-(2-chloro-4-fluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine has a molecular weight of 336.79 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine is sourced from PubChem (CID 24776013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).