6-fluoro-3-[1-[2-(2-methyl-3-pyridinyl)ethyl]piperidin-4-yl]-1,2-benzoxazole

C20H22FN3O — CID 174548225

IUPAC6-fluoro-3-[1-[2-(2-methyl-3-pyridinyl)ethyl]piperidin-4-yl]-1,2-benzoxazole
SMILESCc1ncccc1CCN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C20H22FN3O/c1-14-15(3-2-9-22-14)6-10-24-11-7-16(8-12-24)20-18-5-4-17(21)13-19(18)25-23-20/h2-5,9,13,16H,6-8,10-12H2,1H3
InChIKeyAKBLPSRDGPZVFY-UHFFFAOYSA-N
MW339.41 g/mol
LogP4.09
Rot. Bonds4

About 6-fluoro-3-[1-[2-(2-methyl-3-pyridinyl)ethyl]piperidin-4-yl]-1,2-benzoxazole

6-fluoro-3-[1-[2-(2-methyl-3-pyridinyl)ethyl]piperidin-4-yl]-1,2-benzoxazole (PubChem CID 174548225) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is 6-fluoro-3-[1-[2-(2-methyl-3-pyridinyl)ethyl]piperidin-4-yl]-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-3-[1-[2-(2-methyl-3-pyridinyl)ethyl]piperidin-4-yl]-1,2-benzoxazole
PubChem CID174548225
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name6-fluoro-3-[1-[2-(2-methyl-3-pyridinyl)ethyl]piperidin-4-yl]-1,2-benzoxazole
SMILESCc1ncccc1CCN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C20H22FN3O/c1-14-15(3-2-9-22-14)6-10-24-11-7-16(8-12-24)20-18-5-4-17(21)13-19(18)25-23-20/h2-5,9,13,16H,6-8,10-12H2,1H3
InChIKeyAKBLPSRDGPZVFY-UHFFFAOYSA-N
XLogP4.09
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[1-[2-(2-methyl-3-pyridinyl)ethyl]piperidin-4-yl]-1,2-benzoxazole?
The IUPAC name of 6-fluoro-3-[1-[2-(2-methyl-3-pyridinyl)ethyl]piperidin-4-yl]-1,2-benzoxazole (CID 174548225) is 6-fluoro-3-[1-[2-(2-methyl-3-pyridinyl)ethyl]piperidin-4-yl]-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-3-[1-[2-(2-methyl-3-pyridinyl)ethyl]piperidin-4-yl]-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-3-[1-[2-(2-methyl-3-pyridinyl)ethyl]piperidin-4-yl]-1,2-benzoxazole is Cc1ncccc1CCN1CCC(c2noc3cc(F)ccc23)CC1.
What is the InChIKey of 6-fluoro-3-[1-[2-(2-methyl-3-pyridinyl)ethyl]piperidin-4-yl]-1,2-benzoxazole?
The InChIKey is AKBLPSRDGPZVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c1-14-15(3-2-9-22-14)6-10-24-11-7-16(8-12-24)20-18-5-4-17(21)13-19(18)25-23-20/h2-5,9,13,16H,6-8,10-12H2,1H3.
What are the key properties of 6-fluoro-3-[1-[2-(2-methyl-3-pyridinyl)ethyl]piperidin-4-yl]-1,2-benzoxazole?
6-fluoro-3-[1-[2-(2-methyl-3-pyridinyl)ethyl]piperidin-4-yl]-1,2-benzoxazole has a molecular weight of 339.41 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-[2-(2-methyl-3-pyridinyl)ethyl]piperidin-4-yl]-1,2-benzoxazole is sourced from PubChem (CID 174548225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).