5-chloro-2-[[3-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methoxy]pyridine

C22H28ClFN2O2 — CID 90870666

IUPAC5-chloro-2-[[3-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methoxy]pyridine
SMILESCC(C)(C)OCN1CCC(COc2ccc(Cl)cn2)C(c2ccc(F)cc2)C1
InChIInChI=1S/C22H28ClFN2O2/c1-22(2,3)28-15-26-11-10-17(14-27-21-9-6-18(23)12-25-21)20(13-26)16-4-7-19(24)8-5-16/h4-9,12,17,20H,10-11,13-15H2,1-3H3
InChIKeySPUWYCAMJARIEG-UHFFFAOYSA-N
MW406.93 g/mol
LogP5.13
Rot. Bonds6

About 5-chloro-2-[[3-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methoxy]pyridine

5-chloro-2-[[3-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methoxy]pyridine (PubChem CID 90870666) has the molecular formula C22H28ClFN2O2 and a molecular weight of 406.93 g/mol. Its IUPAC name is 5-chloro-2-[[3-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methoxy]pyridine.

Molecular Properties

Compound Name5-chloro-2-[[3-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methoxy]pyridine
PubChem CID90870666
Molecular FormulaC22H28ClFN2O2
Molecular Weight406.93 g/mol
Exact Mass406.18
IUPAC Name5-chloro-2-[[3-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methoxy]pyridine
SMILESCC(C)(C)OCN1CCC(COc2ccc(Cl)cn2)C(c2ccc(F)cc2)C1
InChIInChI=1S/C22H28ClFN2O2/c1-22(2,3)28-15-26-11-10-17(14-27-21-9-6-18(23)12-25-21)20(13-26)16-4-7-19(24)8-5-16/h4-9,12,17,20H,10-11,13-15H2,1-3H3
InChIKeySPUWYCAMJARIEG-UHFFFAOYSA-N
XLogP5.13
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.93
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-[[3-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-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 5-chloro-2-[[3-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methoxy]pyridine?
The IUPAC name of 5-chloro-2-[[3-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methoxy]pyridine (CID 90870666) is 5-chloro-2-[[3-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methoxy]pyridine.
What is the SMILES notation for 5-chloro-2-[[3-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methoxy]pyridine?
The canonical SMILES for 5-chloro-2-[[3-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methoxy]pyridine is CC(C)(C)OCN1CCC(COc2ccc(Cl)cn2)C(c2ccc(F)cc2)C1.
What is the InChIKey of 5-chloro-2-[[3-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methoxy]pyridine?
The InChIKey is SPUWYCAMJARIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClFN2O2/c1-22(2,3)28-15-26-11-10-17(14-27-21-9-6-18(23)12-25-21)20(13-26)16-4-7-19(24)8-5-16/h4-9,12,17,20H,10-11,13-15H2,1-3H3.
What are the key properties of 5-chloro-2-[[3-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methoxy]pyridine?
5-chloro-2-[[3-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methoxy]pyridine has a molecular weight of 406.93 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[3-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methoxy]pyridine is sourced from PubChem (CID 90870666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).