5-[(2-methylpropan-2-yl)oxy]-2-piperidin-4-ylquinoline

C18H24N2O — CID 18365263

IUPAC5-[(2-methylpropan-2-yl)oxy]-2-piperidin-4-ylquinoline
SMILESCC(C)(C)Oc1cccc2nc(C3CCNCC3)ccc12
InChIInChI=1S/C18H24N2O/c1-18(2,3)21-17-6-4-5-16-14(17)7-8-15(20-16)13-9-11-19-12-10-13/h4-8,13,19H,9-12H2,1-3H3
InChIKeyGGVJHJSONCJLJP-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.88
Rot. Bonds2

About 5-[(2-methylpropan-2-yl)oxy]-2-piperidin-4-ylquinoline

5-[(2-methylpropan-2-yl)oxy]-2-piperidin-4-ylquinoline (PubChem CID 18365263) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxy]-2-piperidin-4-ylquinoline.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxy]-2-piperidin-4-ylquinoline
PubChem CID18365263
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name5-[(2-methylpropan-2-yl)oxy]-2-piperidin-4-ylquinoline
SMILESCC(C)(C)Oc1cccc2nc(C3CCNCC3)ccc12
InChIInChI=1S/C18H24N2O/c1-18(2,3)21-17-6-4-5-16-14(17)7-8-15(20-16)13-9-11-19-12-10-13/h4-8,13,19H,9-12H2,1-3H3
InChIKeyGGVJHJSONCJLJP-UHFFFAOYSA-N
XLogP3.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxy]-2-piperidin-4-ylquinoline?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxy]-2-piperidin-4-ylquinoline (CID 18365263) is 5-[(2-methylpropan-2-yl)oxy]-2-piperidin-4-ylquinoline.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxy]-2-piperidin-4-ylquinoline?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxy]-2-piperidin-4-ylquinoline is CC(C)(C)Oc1cccc2nc(C3CCNCC3)ccc12.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxy]-2-piperidin-4-ylquinoline?
The InChIKey is GGVJHJSONCJLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-18(2,3)21-17-6-4-5-16-14(17)7-8-15(20-16)13-9-11-19-12-10-13/h4-8,13,19H,9-12H2,1-3H3.
What are the key properties of 5-[(2-methylpropan-2-yl)oxy]-2-piperidin-4-ylquinoline?
5-[(2-methylpropan-2-yl)oxy]-2-piperidin-4-ylquinoline has a molecular weight of 284.40 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxy]-2-piperidin-4-ylquinoline is sourced from PubChem (CID 18365263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).