5-methoxy-1-piperidin-4-yloxyisoquinoline

C15H18N2O2 — CID 82569775

IUPAC5-methoxy-1-piperidin-4-yloxyisoquinoline
SMILESCOc1cccc2c(OC3CCNCC3)nccc12
InChIInChI=1S/C15H18N2O2/c1-18-14-4-2-3-13-12(14)7-10-17-15(13)19-11-5-8-16-9-6-11/h2-4,7,10-11,16H,5-6,8-9H2,1H3
InChIKeyKIJHNTYWQWMNMZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.37
Rot. Bonds3

About 5-methoxy-1-piperidin-4-yloxyisoquinoline

5-methoxy-1-piperidin-4-yloxyisoquinoline (PubChem CID 82569775) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-methoxy-1-piperidin-4-yloxyisoquinoline.

Molecular Properties

Compound Name5-methoxy-1-piperidin-4-yloxyisoquinoline
PubChem CID82569775
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name5-methoxy-1-piperidin-4-yloxyisoquinoline
SMILESCOc1cccc2c(OC3CCNCC3)nccc12
InChIInChI=1S/C15H18N2O2/c1-18-14-4-2-3-13-12(14)7-10-17-15(13)19-11-5-8-16-9-6-11/h2-4,7,10-11,16H,5-6,8-9H2,1H3
InChIKeyKIJHNTYWQWMNMZ-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-3-yloxyisoquinoline
CID 106542054
N-methyl-1-piperidin-4-yloxyisoquinolin-5-amine
CID 82572626
5-bromo-1-pyrrolidin-3-yloxyisoquinoline
CID 106541999
3-(2,3-dimethoxyphenoxy)pyrrolidine
CID 83536735
4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine
CID 117441033
N-cyclopentyl-5-methoxyisoquinolin-1-amine
CID 106537183
1-(2-iodophenoxy)-5-methoxyisoquinoline
CID 106536969
1-pyrrolidin-3-yloxyisoquinoline;hydrochloride
CID 14497379
5-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine
CID 106540583
4-iodo-5-methoxy-6-piperidin-4-yloxypyrimidine
CID 88897202
2-methyl-3-piperidin-4-yloxypyrazine;hydrochloride
CID 71639336
2-piperidin-4-yloxypyrimidine
CID 3836732

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-piperidin-4-yloxyisoquinoline?
The IUPAC name of 5-methoxy-1-piperidin-4-yloxyisoquinoline (CID 82569775) is 5-methoxy-1-piperidin-4-yloxyisoquinoline.
What is the SMILES notation for 5-methoxy-1-piperidin-4-yloxyisoquinoline?
The canonical SMILES for 5-methoxy-1-piperidin-4-yloxyisoquinoline is COc1cccc2c(OC3CCNCC3)nccc12.
What is the InChIKey of 5-methoxy-1-piperidin-4-yloxyisoquinoline?
The InChIKey is KIJHNTYWQWMNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-18-14-4-2-3-13-12(14)7-10-17-15(13)19-11-5-8-16-9-6-11/h2-4,7,10-11,16H,5-6,8-9H2,1H3.
What are the key properties of 5-methoxy-1-piperidin-4-yloxyisoquinoline?
5-methoxy-1-piperidin-4-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-4-yloxyisoquinoline is sourced from PubChem (CID 82569775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).