6-methoxy-1-(piperidin-2-ylmethoxy)isoquinoline

C16H20N2O2 — CID 106542068

IUPAC6-methoxy-1-(piperidin-2-ylmethoxy)isoquinoline
SMILESCOc1ccc2c(OCC3CCCCN3)nccc2c1
InChIInChI=1S/C16H20N2O2/c1-19-14-5-6-15-12(10-14)7-9-18-16(15)20-11-13-4-2-3-8-17-13/h5-7,9-10,13,17H,2-4,8,11H2,1H3
InChIKeyQKGJLJJNACNJSY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.76
Rot. Bonds4

About 6-methoxy-1-(piperidin-2-ylmethoxy)isoquinoline

6-methoxy-1-(piperidin-2-ylmethoxy)isoquinoline (PubChem CID 106542068) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-methoxy-1-(piperidin-2-ylmethoxy)isoquinoline.

Molecular Properties

Compound Name6-methoxy-1-(piperidin-2-ylmethoxy)isoquinoline
PubChem CID106542068
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name6-methoxy-1-(piperidin-2-ylmethoxy)isoquinoline
SMILESCOc1ccc2c(OCC3CCCCN3)nccc2c1
InChIInChI=1S/C16H20N2O2/c1-19-14-5-6-15-12(10-14)7-9-18-16(15)20-11-13-4-2-3-8-17-13/h5-7,9-10,13,17H,2-4,8,11H2,1H3
InChIKeyQKGJLJJNACNJSY-UHFFFAOYSA-N
XLogP2.76
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-1-(piperidin-2-ylmethyl)isoquinoline
CID 116995390
6-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]isoquinolin-1-amine
CID 106541129
7-methoxy-1-(pyrrolidin-2-ylmethyl)isoquinoline
CID 116995296
6-methoxy-1-(2-pyrrolidin-3-ylethoxy)isoquinoline
CID 106542215
3-chloro-4-methoxy-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 156847857
(2R)-2-(naphthalen-2-yloxymethyl)piperidine
CID 26192553
(2S)-2-[(4-methoxyphenyl)methoxymethyl]piperidine
CID 86324715
N-cyclopentyl-6-methoxyisoquinolin-1-amine
CID 106537185
(2S)-2-[(2-chloro-4-methoxyphenoxy)methyl]pyrrolidine
CID 28750046
2-(piperidin-2-ylmethoxy)pyridin-3-ol;hydrochloride
CID 71646420
6-methoxy-3-nitro-2-(piperidin-2-ylmethoxy)pyridine
CID 115323416
2-methoxy-3-(pyrrolidin-2-ylmethoxy)pyridine
CID 122208651

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(piperidin-2-ylmethoxy)isoquinoline?
The IUPAC name of 6-methoxy-1-(piperidin-2-ylmethoxy)isoquinoline (CID 106542068) is 6-methoxy-1-(piperidin-2-ylmethoxy)isoquinoline.
What is the SMILES notation for 6-methoxy-1-(piperidin-2-ylmethoxy)isoquinoline?
The canonical SMILES for 6-methoxy-1-(piperidin-2-ylmethoxy)isoquinoline is COc1ccc2c(OCC3CCCCN3)nccc2c1.
What is the InChIKey of 6-methoxy-1-(piperidin-2-ylmethoxy)isoquinoline?
The InChIKey is QKGJLJJNACNJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-19-14-5-6-15-12(10-14)7-9-18-16(15)20-11-13-4-2-3-8-17-13/h5-7,9-10,13,17H,2-4,8,11H2,1H3.
What are the key properties of 6-methoxy-1-(piperidin-2-ylmethoxy)isoquinoline?
6-methoxy-1-(piperidin-2-ylmethoxy)isoquinoline has a molecular weight of 272.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(piperidin-2-ylmethoxy)isoquinoline is sourced from PubChem (CID 106542068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).