8-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline

C19H24N2O — CID 110090988

IUPAC8-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline
SMILESc1cnc2c(CC3CCN(C4CCOC4)CC3)cccc2c1
InChIInChI=1S/C19H24N2O/c1-3-16-5-2-9-20-19(16)17(4-1)13-15-6-10-21(11-7-15)18-8-12-22-14-18/h1-5,9,15,18H,6-8,10-14H2
InChIKeyHCQBZLFTRWQDAV-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.28
Rot. Bonds3

About 8-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline

8-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline (PubChem CID 110090988) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 8-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline.

Molecular Properties

Compound Name8-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline
PubChem CID110090988
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name8-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline
SMILESc1cnc2c(CC3CCN(C4CCOC4)CC3)cccc2c1
InChIInChI=1S/C19H24N2O/c1-3-16-5-2-9-20-19(16)17(4-1)13-15-6-10-21(11-7-15)18-8-12-22-14-18/h1-5,9,15,18H,6-8,10-14H2
InChIKeyHCQBZLFTRWQDAV-UHFFFAOYSA-N
XLogP3.28
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline?
The IUPAC name of 8-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline (CID 110090988) is 8-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline.
What is the SMILES notation for 8-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline?
The canonical SMILES for 8-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline is c1cnc2c(CC3CCN(C4CCOC4)CC3)cccc2c1.
What is the InChIKey of 8-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline?
The InChIKey is HCQBZLFTRWQDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-3-16-5-2-9-20-19(16)17(4-1)13-15-6-10-21(11-7-15)18-8-12-22-14-18/h1-5,9,15,18H,6-8,10-14H2.
What are the key properties of 8-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline?
8-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline has a molecular weight of 296.41 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline is sourced from PubChem (CID 110090988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).