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

C16H20N2O — CID 116995390

IUPAC6-methoxy-1-(piperidin-2-ylmethyl)isoquinoline
SMILESCOc1ccc2c(CC3CCCCN3)nccc2c1
InChIInChI=1S/C16H20N2O/c1-19-14-5-6-15-12(10-14)7-9-18-16(15)11-13-4-2-3-8-17-13/h5-7,9-10,13,17H,2-4,8,11H2,1H3
InChIKeyBIQMKQPSFUVYEF-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.93
Rot. Bonds3

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

6-methoxy-1-(piperidin-2-ylmethyl)isoquinoline (PubChem CID 116995390) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-methoxy-1-(piperidin-2-ylmethyl)isoquinoline.

Molecular Properties

Compound Name6-methoxy-1-(piperidin-2-ylmethyl)isoquinoline
PubChem CID116995390
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name6-methoxy-1-(piperidin-2-ylmethyl)isoquinoline
SMILESCOc1ccc2c(CC3CCCCN3)nccc2c1
InChIInChI=1S/C16H20N2O/c1-19-14-5-6-15-12(10-14)7-9-18-16(15)11-13-4-2-3-8-17-13/h5-7,9-10,13,17H,2-4,8,11H2,1H3
InChIKeyBIQMKQPSFUVYEF-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-1-(pyrrolidin-2-ylmethyl)isoquinoline
CID 116995296
6-methoxy-1-(piperidin-2-ylmethoxy)isoquinoline
CID 106542068
6-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]isoquinolin-1-amine
CID 106541129
2-[(2,4-dimethoxyphenyl)methyl]piperidine
CID 62800646
2-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine
CID 117435551
N-cyclopentyl-6-methoxyisoquinolin-1-amine
CID 106537185
5-methoxy-2-(piperidin-2-ylmethyl)pyrimidine
CID 117231656
2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 82612103
(2S)-2-[(3,5,6-trimethoxyphenanthren-9-yl)methyl]pyrrolidine
CID 71396682
3-methyl-2-(piperidin-2-ylmethyl)pyridine
CID 4715233
6-methoxy-2-(2-piperidin-2-ylethyl)isoquinolin-1-one
CID 82151396
2-[(2,3,5-trimethoxyphenyl)methyl]piperidine
CID 117417667

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(piperidin-2-ylmethyl)isoquinoline?
The IUPAC name of 6-methoxy-1-(piperidin-2-ylmethyl)isoquinoline (CID 116995390) is 6-methoxy-1-(piperidin-2-ylmethyl)isoquinoline.
What is the SMILES notation for 6-methoxy-1-(piperidin-2-ylmethyl)isoquinoline?
The canonical SMILES for 6-methoxy-1-(piperidin-2-ylmethyl)isoquinoline is COc1ccc2c(CC3CCCCN3)nccc2c1.
What is the InChIKey of 6-methoxy-1-(piperidin-2-ylmethyl)isoquinoline?
The InChIKey is BIQMKQPSFUVYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-19-14-5-6-15-12(10-14)7-9-18-16(15)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-ylmethyl)isoquinoline?
6-methoxy-1-(piperidin-2-ylmethyl)isoquinoline has a molecular weight of 256.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(piperidin-2-ylmethyl)isoquinoline is sourced from PubChem (CID 116995390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).