1-methoxy-7-(piperidin-3-ylmethyl)isoquinoline

C16H20N2O — CID 117394492

IUPAC1-methoxy-7-(piperidin-3-ylmethyl)isoquinoline
SMILESCOc1nccc2ccc(CC3CCCNC3)cc12
InChIInChI=1S/C16H20N2O/c1-19-16-15-10-12(4-5-14(15)6-8-18-16)9-13-3-2-7-17-11-13/h4-6,8,10,13,17H,2-3,7,9,11H2,1H3
InChIKeyASAVJQQPWFFVHX-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.79
Rot. Bonds3

About 1-methoxy-7-(piperidin-3-ylmethyl)isoquinoline

1-methoxy-7-(piperidin-3-ylmethyl)isoquinoline (PubChem CID 117394492) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-methoxy-7-(piperidin-3-ylmethyl)isoquinoline.

Molecular Properties

Compound Name1-methoxy-7-(piperidin-3-ylmethyl)isoquinoline
PubChem CID117394492
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-methoxy-7-(piperidin-3-ylmethyl)isoquinoline
SMILESCOc1nccc2ccc(CC3CCCNC3)cc12
InChIInChI=1S/C16H20N2O/c1-19-16-15-10-12(4-5-14(15)6-8-18-16)9-13-3-2-7-17-11-13/h4-6,8,10,13,17H,2-3,7,9,11H2,1H3
InChIKeyASAVJQQPWFFVHX-UHFFFAOYSA-N
XLogP2.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methoxy-7-(piperidin-3-ylmethyl)isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-[[(3R)-piperidin-3-yl]methyl]pyridine
CID 139490801
3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride
CID 17039525
7-(piperidin-3-ylmethyl)quinoline
CID 84791058
(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 39345701
1-methoxy-6-piperidin-3-ylisoquinoline
CID 117358121
3-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]piperidine
CID 84804959
1-methoxy-7-pyrrolidin-2-ylisoquinoline
CID 117329098
3-methyl-6-(piperidin-3-ylmethyl)quinoline
CID 116997414
3-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidine
CID 117467787
2-(1-methoxyisoquinolin-7-yl)morpholine
CID 117362678
3-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]piperidine
CID 117485752
3-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine
CID 117494517

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-7-(piperidin-3-ylmethyl)isoquinoline?
The IUPAC name of 1-methoxy-7-(piperidin-3-ylmethyl)isoquinoline (CID 117394492) is 1-methoxy-7-(piperidin-3-ylmethyl)isoquinoline.
What is the SMILES notation for 1-methoxy-7-(piperidin-3-ylmethyl)isoquinoline?
The canonical SMILES for 1-methoxy-7-(piperidin-3-ylmethyl)isoquinoline is COc1nccc2ccc(CC3CCCNC3)cc12.
What is the InChIKey of 1-methoxy-7-(piperidin-3-ylmethyl)isoquinoline?
The InChIKey is ASAVJQQPWFFVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-19-16-15-10-12(4-5-14(15)6-8-18-16)9-13-3-2-7-17-11-13/h4-6,8,10,13,17H,2-3,7,9,11H2,1H3.
What are the key properties of 1-methoxy-7-(piperidin-3-ylmethyl)isoquinoline?
1-methoxy-7-(piperidin-3-ylmethyl)isoquinoline has a molecular weight of 256.35 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-7-(piperidin-3-ylmethyl)isoquinoline is sourced from PubChem (CID 117394492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).