2-(4-chloro-3-fluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine

C18H20ClFN2O2 — CID 24774731

IUPAC2-(4-chloro-3-fluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
SMILESCc1ccc(OC[C@H]2CCCNC2)c(Oc2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C18H20ClFN2O2/c1-12-4-7-17(23-11-13-3-2-8-21-10-13)18(22-12)24-14-5-6-15(19)16(20)9-14/h4-7,9,13,21H,2-3,8,10-11H2,1H3/t13-/m0/s1
InChIKeyHXXWNGYASBAPQP-ZDUSSCGKSA-N
MW350.82 g/mol
LogP4.35
Rot. Bonds5

About 2-(4-chloro-3-fluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine

2-(4-chloro-3-fluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine (PubChem CID 24774731) has the molecular formula C18H20ClFN2O2 and a molecular weight of 350.82 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
PubChem CID24774731
Molecular FormulaC18H20ClFN2O2
Molecular Weight350.82 g/mol
Exact Mass350.12
IUPAC Name2-(4-chloro-3-fluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
SMILESCc1ccc(OC[C@H]2CCCNC2)c(Oc2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C18H20ClFN2O2/c1-12-4-7-17(23-11-13-3-2-8-21-10-13)18(22-12)24-14-5-6-15(19)16(20)9-14/h4-7,9,13,21H,2-3,8,10-11H2,1H3/t13-/m0/s1
InChIKeyHXXWNGYASBAPQP-ZDUSSCGKSA-N
XLogP4.35
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.82
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine (CID 24774731) is 2-(4-chloro-3-fluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine is Cc1ccc(OC[C@H]2CCCNC2)c(Oc2ccc(Cl)c(F)c2)n1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
The InChIKey is HXXWNGYASBAPQP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20ClFN2O2/c1-12-4-7-17(23-11-13-3-2-8-21-10-13)18(22-12)24-14-5-6-15(19)16(20)9-14/h4-7,9,13,21H,2-3,8,10-11H2,1H3/t13-/m0/s1.
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
2-(4-chloro-3-fluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine has a molecular weight of 350.82 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine is sourced from PubChem (CID 24774731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).