6-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline

C19H24N2O — CID 110090986

IUPAC6-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline
SMILESc1cnc2ccc(CC3CCN(C4CCOC4)CC3)cc2c1
InChIInChI=1S/C19H24N2O/c1-2-17-13-16(3-4-19(17)20-8-1)12-15-5-9-21(10-6-15)18-7-11-22-14-18/h1-4,8,13,15,18H,5-7,9-12,14H2
InChIKeyMKWGZTJJDJBMRT-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.28
Rot. Bonds3

About 6-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline

6-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline (PubChem CID 110090986) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 6-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline
PubChem CID110090986
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name6-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline
SMILESc1cnc2ccc(CC3CCN(C4CCOC4)CC3)cc2c1
InChIInChI=1S/C19H24N2O/c1-2-17-13-16(3-4-19(17)20-8-1)12-15-5-9-21(10-6-15)18-7-11-22-14-18/h1-4,8,13,15,18H,5-7,9-12,14H2
InChIKeyMKWGZTJJDJBMRT-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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Related Compounds

8-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline
CID 110090988
[(3R)-oxan-3-yl]-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124983487
pyrimidin-2-yl-[(6S)-6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 125019888
4-(quinolin-6-ylmethyl)cyclohexan-1-one
CID 116997362
(6S)-6-(quinolin-6-ylmethyl)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepane
CID 124946584
6-(1,3-dioxolan-2-ylmethyl)quinoline
CID 165178213
pyridazin-4-yl-[(6S)-6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124963997
6-(azepan-4-ylmethyl)quinoline
CID 155906957
(1-methylimidazol-4-yl)-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 110090455
tert-butyl 4-(quinolin-6-ylmethyl)piperidine-1-carboxylate
CID 174880299
(5-methyl-1,3-oxazol-4-yl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 110132081
(6-methyl-2-pyridinyl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 110131996

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline?
The IUPAC name of 6-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline (CID 110090986) is 6-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline.
What is the SMILES notation for 6-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline?
The canonical SMILES for 6-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline is c1cnc2ccc(CC3CCN(C4CCOC4)CC3)cc2c1.
What is the InChIKey of 6-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline?
The InChIKey is MKWGZTJJDJBMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-2-17-13-16(3-4-19(17)20-8-1)12-15-5-9-21(10-6-15)18-7-11-22-14-18/h1-4,8,13,15,18H,5-7,9-12,14H2.
What are the key properties of 6-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline?
6-[[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 6-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline is sourced from PubChem (CID 110090986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).