5-ethyl-6-(1-methylpiperidin-4-yl)oxyisoquinoline

C17H22N2O — CID 70968627

IUPAC5-ethyl-6-(1-methylpiperidin-4-yl)oxyisoquinoline
SMILESCCc1c(OC2CCN(C)CC2)ccc2cnccc12
InChIInChI=1S/C17H22N2O/c1-3-15-16-6-9-18-12-13(16)4-5-17(15)20-14-7-10-19(2)11-8-14/h4-6,9,12,14H,3,7-8,10-11H2,1-2H3
InChIKeyBOYSOZBROFMOPA-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.27
Rot. Bonds3

About 5-ethyl-6-(1-methylpiperidin-4-yl)oxyisoquinoline

5-ethyl-6-(1-methylpiperidin-4-yl)oxyisoquinoline (PubChem CID 70968627) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-ethyl-6-(1-methylpiperidin-4-yl)oxyisoquinoline.

Molecular Properties

Compound Name5-ethyl-6-(1-methylpiperidin-4-yl)oxyisoquinoline
PubChem CID70968627
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name5-ethyl-6-(1-methylpiperidin-4-yl)oxyisoquinoline
SMILESCCc1c(OC2CCN(C)CC2)ccc2cnccc12
InChIInChI=1S/C17H22N2O/c1-3-15-16-6-9-18-12-13(16)4-5-17(15)20-14-7-10-19(2)11-8-14/h4-6,9,12,14H,3,7-8,10-11H2,1-2H3
InChIKeyBOYSOZBROFMOPA-UHFFFAOYSA-N
XLogP3.27
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-ethylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride
CID 162316544
8-(1-methylpiperidin-4-yl)oxyisoquinolin-5-amine
CID 103139941
3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile
CID 114287934
N-(1-methylpiperidin-4-yl)isoquinolin-5-amine
CID 43681291
4-(1-methylpiperidin-4-yl)oxypyridine
CID 18723159
6-cycloheptyloxyisoquinolin-5-amine
CID 106948663
3-(1-methylpiperidin-4-yl)oxypyridine
CID 18433351
2-methyl-N-[[3-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 105074819
6-(4-ethoxypiperidin-1-yl)isoquinolin-5-amine
CID 106947725
4-(difluoromethyl)-3-(1-methylpyrrolidin-3-yl)oxypyridine
CID 145415333
4-[4-[(3-ethyl-4-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylic acid
CID 123196855
4-(1-methylpiperidin-4-yl)oxypyrimidine
CID 123827730

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(1-methylpiperidin-4-yl)oxyisoquinoline?
The IUPAC name of 5-ethyl-6-(1-methylpiperidin-4-yl)oxyisoquinoline (CID 70968627) is 5-ethyl-6-(1-methylpiperidin-4-yl)oxyisoquinoline.
What is the SMILES notation for 5-ethyl-6-(1-methylpiperidin-4-yl)oxyisoquinoline?
The canonical SMILES for 5-ethyl-6-(1-methylpiperidin-4-yl)oxyisoquinoline is CCc1c(OC2CCN(C)CC2)ccc2cnccc12.
What is the InChIKey of 5-ethyl-6-(1-methylpiperidin-4-yl)oxyisoquinoline?
The InChIKey is BOYSOZBROFMOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-15-16-6-9-18-12-13(16)4-5-17(15)20-14-7-10-19(2)11-8-14/h4-6,9,12,14H,3,7-8,10-11H2,1-2H3.
What are the key properties of 5-ethyl-6-(1-methylpiperidin-4-yl)oxyisoquinoline?
5-ethyl-6-(1-methylpiperidin-4-yl)oxyisoquinoline has a molecular weight of 270.38 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(1-methylpiperidin-4-yl)oxyisoquinoline is sourced from PubChem (CID 70968627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).