3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-fluoro-2-methylpyridine

C21H25FN2O — CID 68789971

IUPAC3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-fluoro-2-methylpyridine
SMILESCc1nc(F)ccc1-c1ccc(OC2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C21H25FN2O/c1-15-20(9-10-21(22)23-15)16-5-7-18(8-6-16)25-19-11-13-24(14-12-19)17-3-2-4-17/h5-10,17,19H,2-4,11-14H2,1H3
InChIKeyNOYUQDIDMOBQQF-UHFFFAOYSA-N
MW340.44 g/mol
LogP4.59
Rot. Bonds4

About 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-fluoro-2-methylpyridine

3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-fluoro-2-methylpyridine (PubChem CID 68789971) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-fluoro-2-methylpyridine.

Molecular Properties

Compound Name3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-fluoro-2-methylpyridine
PubChem CID68789971
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-fluoro-2-methylpyridine
SMILESCc1nc(F)ccc1-c1ccc(OC2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C21H25FN2O/c1-15-20(9-10-21(22)23-15)16-5-7-18(8-6-16)25-19-11-13-24(14-12-19)17-3-2-4-17/h5-10,17,19H,2-4,11-14H2,1H3
InChIKeyNOYUQDIDMOBQQF-UHFFFAOYSA-N
XLogP4.59
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.59
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 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-fluoro-2-methylpyridine?
The IUPAC name of 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-fluoro-2-methylpyridine (CID 68789971) is 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-fluoro-2-methylpyridine.
What is the SMILES notation for 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-fluoro-2-methylpyridine?
The canonical SMILES for 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-fluoro-2-methylpyridine is Cc1nc(F)ccc1-c1ccc(OC2CCN(C3CCC3)CC2)cc1.
What is the InChIKey of 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-fluoro-2-methylpyridine?
The InChIKey is NOYUQDIDMOBQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-15-20(9-10-21(22)23-15)16-5-7-18(8-6-16)25-19-11-13-24(14-12-19)17-3-2-4-17/h5-10,17,19H,2-4,11-14H2,1H3.
What are the key properties of 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-fluoro-2-methylpyridine?
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-fluoro-2-methylpyridine has a molecular weight of 340.44 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-fluoro-2-methylpyridine is sourced from PubChem (CID 68789971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).