2-(2,4-difluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine

C17H18F2N2O2 — CID 24775917

IUPAC2-(2,4-difluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
SMILESFc1ccc(Oc2ncccc2OC[C@H]2CCCNC2)c(F)c1
InChIInChI=1S/C17H18F2N2O2/c18-13-5-6-15(14(19)9-13)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
InChIKeyKRSXOWPNWWWURA-LBPRGKRZSA-N
MW320.34 g/mol
LogP3.53
Rot. Bonds5

About 2-(2,4-difluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine

2-(2,4-difluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine (PubChem CID 24775917) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
PubChem CID24775917
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name2-(2,4-difluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
SMILESFc1ccc(Oc2ncccc2OC[C@H]2CCCNC2)c(F)c1
InChIInChI=1S/C17H18F2N2O2/c18-13-5-6-15(14(19)9-13)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
InChIKeyKRSXOWPNWWWURA-LBPRGKRZSA-N
XLogP3.53
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
The IUPAC name of 2-(2,4-difluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine (CID 24775917) is 2-(2,4-difluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
The canonical SMILES for 2-(2,4-difluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine is Fc1ccc(Oc2ncccc2OC[C@H]2CCCNC2)c(F)c1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
The InChIKey is KRSXOWPNWWWURA-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c18-13-5-6-15(14(19)9-13)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-(2,4-difluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
2-(2,4-difluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine has a molecular weight of 320.34 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine is sourced from PubChem (CID 24775917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).