1-methoxy-6-piperidin-3-ylisoquinoline

C15H18N2O — CID 117358121

IUPAC1-methoxy-6-piperidin-3-ylisoquinoline
SMILESCOc1nccc2cc(C3CCCNC3)ccc12
InChIInChI=1S/C15H18N2O/c1-18-15-14-5-4-11(9-12(14)6-8-17-15)13-3-2-7-16-10-13/h4-6,8-9,13,16H,2-3,7,10H2,1H3
InChIKeyQNTNAMSQXUNYQB-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.71
Rot. Bonds2

About 1-methoxy-6-piperidin-3-ylisoquinoline

1-methoxy-6-piperidin-3-ylisoquinoline (PubChem CID 117358121) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-methoxy-6-piperidin-3-ylisoquinoline.

Molecular Properties

Compound Name1-methoxy-6-piperidin-3-ylisoquinoline
PubChem CID117358121
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-methoxy-6-piperidin-3-ylisoquinoline
SMILESCOc1nccc2cc(C3CCCNC3)ccc12
InChIInChI=1S/C15H18N2O/c1-18-15-14-5-4-11(9-12(14)6-8-17-15)13-3-2-7-16-10-13/h4-6,8-9,13,16H,2-3,7,10H2,1H3
InChIKeyQNTNAMSQXUNYQB-UHFFFAOYSA-N
XLogP2.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-4-piperidin-3-ylpyridine;hydrochloride
CID 118741830
1-methoxy-7-(piperidin-3-ylmethyl)isoquinoline
CID 117394492
3-(4-methoxyphenyl)piperidine
CID 12937920
1-methoxy-7-pyrrolidin-2-ylisoquinoline
CID 117329098
N,N-dimethyl-4-[(3S)-piperidin-3-yl]pyridin-2-amine
CID 95804693
2,3-dimethoxy-4-pyrrolidin-3-ylpyridine
CID 84676139
2-methoxy-5-[(3R)-piperidin-3-yl]pyridine
CID 93478601
2-(1-methoxyisoquinolin-7-yl)morpholine
CID 117362678
4-piperidin-3-ylpyridine;dihydrochloride
CID 91809614
3-(2,3-dimethyl-1-benzothiophen-6-yl)piperidine
CID 117366317
2-methoxy-3-methyl-5-piperidin-3-ylpyrazine
CID 83833851
3-naphthalen-2-ylpiperidine;hydrochloride
CID 45073830

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-6-piperidin-3-ylisoquinoline?
The IUPAC name of 1-methoxy-6-piperidin-3-ylisoquinoline (CID 117358121) is 1-methoxy-6-piperidin-3-ylisoquinoline.
What is the SMILES notation for 1-methoxy-6-piperidin-3-ylisoquinoline?
The canonical SMILES for 1-methoxy-6-piperidin-3-ylisoquinoline is COc1nccc2cc(C3CCCNC3)ccc12.
What is the InChIKey of 1-methoxy-6-piperidin-3-ylisoquinoline?
The InChIKey is QNTNAMSQXUNYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-18-15-14-5-4-11(9-12(14)6-8-17-15)13-3-2-7-16-10-13/h4-6,8-9,13,16H,2-3,7,10H2,1H3.
What are the key properties of 1-methoxy-6-piperidin-3-ylisoquinoline?
1-methoxy-6-piperidin-3-ylisoquinoline has a molecular weight of 242.32 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-6-piperidin-3-ylisoquinoline is sourced from PubChem (CID 117358121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).