4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-8-methylquinoline

C20H28N2O — CID 58948339

IUPAC4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-8-methylquinoline
SMILESCc1cccc2c(OC3CCN(CC(C)(C)C)CC3)ccnc12
InChIInChI=1S/C20H28N2O/c1-15-6-5-7-17-18(8-11-21-19(15)17)23-16-9-12-22(13-10-16)14-20(2,3)4/h5-8,11,16H,9-10,12-14H2,1-4H3
InChIKeyPEUFMFHXVFNEQR-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.43
Rot. Bonds3

About 4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-8-methylquinoline

4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-8-methylquinoline (PubChem CID 58948339) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-8-methylquinoline.

Molecular Properties

Compound Name4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-8-methylquinoline
PubChem CID58948339
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-8-methylquinoline
SMILESCc1cccc2c(OC3CCN(CC(C)(C)C)CC3)ccnc12
InChIInChI=1S/C20H28N2O/c1-15-6-5-7-17-18(8-11-21-19(15)17)23-16-9-12-22(13-10-16)14-20(2,3)4/h5-8,11,16H,9-10,12-14H2,1-4H3
InChIKeyPEUFMFHXVFNEQR-UHFFFAOYSA-N
XLogP4.43
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-4-[1-(2,2,2-trifluoro-1-phenylethyl)piperidin-4-yl]oxyquinoline
CID 58948337
4-[1-[fluoro(phenyl)methyl]piperidin-4-yl]oxy-8-(trifluoromethyl)quinoline
CID 58948367
4-cyclohexyloxyquinolin-8-amine
CID 83061131
8-methyl-4-(3-prop-2-enoxypyrrolidin-1-yl)quinazoline
CID 133465474
(8-methylquinolin-4-yl)methanamine
CID 66637118
4-[8-(4-propan-2-yloxyphenyl)quinolin-4-yl]oxyazepane-1-carbaldehyde
CID 142990369
3-[[4-(2-methylphenoxy)piperidin-1-yl]methyl]pyridine
CID 56892936
ethane;4-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 144655486
4-(oxolan-3-yloxy)quinolin-8-amine
CID 83061222
[3-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-2-pyridinyl]methanol
CID 25144311
tert-butyl 4-quinolin-5-yloxypiperidine-1-carboxylate
CID 170614892
4-(4-tert-butylcyclohexyl)oxy-3-methoxy-2-methylpyridine
CID 54349060

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-8-methylquinoline?
The IUPAC name of 4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-8-methylquinoline (CID 58948339) is 4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-8-methylquinoline.
What is the SMILES notation for 4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-8-methylquinoline?
The canonical SMILES for 4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-8-methylquinoline is Cc1cccc2c(OC3CCN(CC(C)(C)C)CC3)ccnc12.
What is the InChIKey of 4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-8-methylquinoline?
The InChIKey is PEUFMFHXVFNEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-15-6-5-7-17-18(8-11-21-19(15)17)23-16-9-12-22(13-10-16)14-20(2,3)4/h5-8,11,16H,9-10,12-14H2,1-4H3.
What are the key properties of 4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-8-methylquinoline?
4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-8-methylquinoline has a molecular weight of 312.46 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-8-methylquinoline is sourced from PubChem (CID 58948339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).