2-chloro-3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyridine

C15H22ClFN2O — CID 141382237

IUPAC2-chloro-3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyridine
SMILESCC(C)(F)CN1CCC(COc2cccnc2Cl)CC1
InChIInChI=1S/C15H22ClFN2O/c1-15(2,17)11-19-8-5-12(6-9-19)10-20-13-4-3-7-18-14(13)16/h3-4,7,12H,5-6,8-11H2,1-2H3
InChIKeyHHPDEDSYECBKNV-UHFFFAOYSA-N
MW300.80 g/mol
LogP3.57
Rot. Bonds5

About 2-chloro-3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyridine

2-chloro-3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyridine (PubChem CID 141382237) has the molecular formula C15H22ClFN2O and a molecular weight of 300.80 g/mol. Its IUPAC name is 2-chloro-3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-chloro-3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyridine
PubChem CID141382237
Molecular FormulaC15H22ClFN2O
Molecular Weight300.80 g/mol
Exact Mass300.14
IUPAC Name2-chloro-3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyridine
SMILESCC(C)(F)CN1CCC(COc2cccnc2Cl)CC1
InChIInChI=1S/C15H22ClFN2O/c1-15(2,17)11-19-8-5-12(6-9-19)10-20-13-4-3-7-18-14(13)16/h3-4,7,12H,5-6,8-11H2,1-2H3
InChIKeyHHPDEDSYECBKNV-UHFFFAOYSA-N
XLogP3.57
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.80
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyridine?
The IUPAC name of 2-chloro-3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyridine (CID 141382237) is 2-chloro-3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyridine.
What is the SMILES notation for 2-chloro-3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyridine?
The canonical SMILES for 2-chloro-3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyridine is CC(C)(F)CN1CCC(COc2cccnc2Cl)CC1.
What is the InChIKey of 2-chloro-3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyridine?
The InChIKey is HHPDEDSYECBKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2O/c1-15(2,17)11-19-8-5-12(6-9-19)10-20-13-4-3-7-18-14(13)16/h3-4,7,12H,5-6,8-11H2,1-2H3.
What are the key properties of 2-chloro-3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyridine?
2-chloro-3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyridine has a molecular weight of 300.80 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyridine is sourced from PubChem (CID 141382237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).