5-methoxy-1-piperidin-3-yloxyisoquinoline

C15H18N2O2 — CID 106542054

IUPAC5-methoxy-1-piperidin-3-yloxyisoquinoline
SMILESCOc1cccc2c(OC3CCCNC3)nccc12
InChIInChI=1S/C15H18N2O2/c1-18-14-6-2-5-13-12(14)7-9-17-15(13)19-11-4-3-8-16-10-11/h2,5-7,9,11,16H,3-4,8,10H2,1H3
InChIKeyJCOPXZQZYJFGFJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.37
Rot. Bonds3

About 5-methoxy-1-piperidin-3-yloxyisoquinoline

5-methoxy-1-piperidin-3-yloxyisoquinoline (PubChem CID 106542054) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-methoxy-1-piperidin-3-yloxyisoquinoline.

Molecular Properties

Compound Name5-methoxy-1-piperidin-3-yloxyisoquinoline
PubChem CID106542054
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name5-methoxy-1-piperidin-3-yloxyisoquinoline
SMILESCOc1cccc2c(OC3CCCNC3)nccc12
InChIInChI=1S/C15H18N2O2/c1-18-14-6-2-5-13-12(14)7-9-17-15(13)19-11-4-3-8-16-10-11/h2,5-7,9,11,16H,3-4,8,10H2,1H3
InChIKeyJCOPXZQZYJFGFJ-UHFFFAOYSA-N
XLogP2.37
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-1-piperidin-4-yloxyisoquinoline
CID 82569775
5-bromo-1-pyrrolidin-3-yloxyisoquinoline
CID 106541999
2-[(3S)-piperidin-3-yl]oxypyridin-3-ol
CID 71646411
5-methoxy-N-(2-piperidin-3-ylethyl)isoquinolin-1-amine
CID 106540594
3-(2,3-dimethoxyphenoxy)pyrrolidine
CID 83536735
2-[(3S)-piperidin-3-yl]oxypyridin-3-amine
CID 125041854
3-(2-cyclobutyloxy-3-methoxyphenyl)piperidine
CID 117408157
1-pyrrolidin-3-yloxyisoquinoline;hydrochloride
CID 14497379
6-[(3S)-piperidin-3-yl]oxy-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline
CID 106542165
2-methoxy-6-[(3R)-piperidin-3-yl]oxypyridine
CID 96644678
8-[(3R)-piperidin-3-yl]oxyquinoline
CID 26191562
4-methoxy-2-piperidin-3-yloxypyridine
CID 86277564

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-piperidin-3-yloxyisoquinoline?
The IUPAC name of 5-methoxy-1-piperidin-3-yloxyisoquinoline (CID 106542054) is 5-methoxy-1-piperidin-3-yloxyisoquinoline.
What is the SMILES notation for 5-methoxy-1-piperidin-3-yloxyisoquinoline?
The canonical SMILES for 5-methoxy-1-piperidin-3-yloxyisoquinoline is COc1cccc2c(OC3CCCNC3)nccc12.
What is the InChIKey of 5-methoxy-1-piperidin-3-yloxyisoquinoline?
The InChIKey is JCOPXZQZYJFGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-18-14-6-2-5-13-12(14)7-9-17-15(13)19-11-4-3-8-16-10-11/h2,5-7,9,11,16H,3-4,8,10H2,1H3.
What are the key properties of 5-methoxy-1-piperidin-3-yloxyisoquinoline?
5-methoxy-1-piperidin-3-yloxyisoquinoline has a molecular weight of 258.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-piperidin-3-yloxyisoquinoline is sourced from PubChem (CID 106542054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).