3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-propan-2-yloxypyridine

C17H26ClFN2O — CID 130184580

IUPAC3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-propan-2-yloxypyridine
SMILESCC(C)Oc1ncc(CN2CCC(F)(C(C)C)CC2)cc1Cl
InChIInChI=1S/C17H26ClFN2O/c1-12(2)17(19)5-7-21(8-6-17)11-14-9-15(18)16(20-10-14)22-13(3)4/h9-10,12-13H,5-8,11H2,1-4H3
InChIKeyGBQIXZCCWCIVTD-UHFFFAOYSA-N
MW328.86 g/mol
LogP4.48
Rot. Bonds5

About 3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-propan-2-yloxypyridine

3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-propan-2-yloxypyridine (PubChem CID 130184580) has the molecular formula C17H26ClFN2O and a molecular weight of 328.86 g/mol. Its IUPAC name is 3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-propan-2-yloxypyridine.

Molecular Properties

Compound Name3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-propan-2-yloxypyridine
PubChem CID130184580
Molecular FormulaC17H26ClFN2O
Molecular Weight328.86 g/mol
Exact Mass328.17
IUPAC Name3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-propan-2-yloxypyridine
SMILESCC(C)Oc1ncc(CN2CCC(F)(C(C)C)CC2)cc1Cl
InChIInChI=1S/C17H26ClFN2O/c1-12(2)17(19)5-7-21(8-6-17)11-14-9-15(18)16(20-10-14)22-13(3)4/h9-10,12-13H,5-8,11H2,1-4H3
InChIKeyGBQIXZCCWCIVTD-UHFFFAOYSA-N
XLogP4.48
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.86
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-propan-2-yloxypyridine?
The IUPAC name of 3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-propan-2-yloxypyridine (CID 130184580) is 3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-propan-2-yloxypyridine.
What is the SMILES notation for 3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-propan-2-yloxypyridine?
The canonical SMILES for 3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-propan-2-yloxypyridine is CC(C)Oc1ncc(CN2CCC(F)(C(C)C)CC2)cc1Cl.
What is the InChIKey of 3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-propan-2-yloxypyridine?
The InChIKey is GBQIXZCCWCIVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClFN2O/c1-12(2)17(19)5-7-21(8-6-17)11-14-9-15(18)16(20-10-14)22-13(3)4/h9-10,12-13H,5-8,11H2,1-4H3.
What are the key properties of 3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-propan-2-yloxypyridine?
3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-propan-2-yloxypyridine has a molecular weight of 328.86 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-propan-2-yloxypyridine is sourced from PubChem (CID 130184580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).