1-[2-[2-(methylamino)ethyl]piperidin-1-yl]isoquinolin-7-ol

C17H23N3O — CID 106540704

IUPAC1-[2-[2-(methylamino)ethyl]piperidin-1-yl]isoquinolin-7-ol
SMILESCNCCC1CCCCN1c1nccc2ccc(O)cc12
InChIInChI=1S/C17H23N3O/c1-18-9-8-14-4-2-3-11-20(14)17-16-12-15(21)6-5-13(16)7-10-19-17/h5-7,10,12,14,18,21H,2-4,8-9,11H2,1H3
InChIKeyWUQVGUVNGQRLCJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.91
Rot. Bonds4

About 1-[2-[2-(methylamino)ethyl]piperidin-1-yl]isoquinolin-7-ol

1-[2-[2-(methylamino)ethyl]piperidin-1-yl]isoquinolin-7-ol (PubChem CID 106540704) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[2-[2-(methylamino)ethyl]piperidin-1-yl]isoquinolin-7-ol.

Molecular Properties

Compound Name1-[2-[2-(methylamino)ethyl]piperidin-1-yl]isoquinolin-7-ol
PubChem CID106540704
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[2-[2-(methylamino)ethyl]piperidin-1-yl]isoquinolin-7-ol
SMILESCNCCC1CCCCN1c1nccc2ccc(O)cc12
InChIInChI=1S/C17H23N3O/c1-18-9-8-14-4-2-3-11-20(14)17-16-12-15(21)6-5-13(16)7-10-19-17/h5-7,10,12,14,18,21H,2-4,8-9,11H2,1H3
InChIKeyWUQVGUVNGQRLCJ-UHFFFAOYSA-N
XLogP2.91
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(methylamino)ethyl]piperidin-1-yl]isoquinolin-7-ol?
The IUPAC name of 1-[2-[2-(methylamino)ethyl]piperidin-1-yl]isoquinolin-7-ol (CID 106540704) is 1-[2-[2-(methylamino)ethyl]piperidin-1-yl]isoquinolin-7-ol.
What is the SMILES notation for 1-[2-[2-(methylamino)ethyl]piperidin-1-yl]isoquinolin-7-ol?
The canonical SMILES for 1-[2-[2-(methylamino)ethyl]piperidin-1-yl]isoquinolin-7-ol is CNCCC1CCCCN1c1nccc2ccc(O)cc12.
What is the InChIKey of 1-[2-[2-(methylamino)ethyl]piperidin-1-yl]isoquinolin-7-ol?
The InChIKey is WUQVGUVNGQRLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-18-9-8-14-4-2-3-11-20(14)17-16-12-15(21)6-5-13(16)7-10-19-17/h5-7,10,12,14,18,21H,2-4,8-9,11H2,1H3.
What are the key properties of 1-[2-[2-(methylamino)ethyl]piperidin-1-yl]isoquinolin-7-ol?
1-[2-[2-(methylamino)ethyl]piperidin-1-yl]isoquinolin-7-ol has a molecular weight of 285.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(methylamino)ethyl]piperidin-1-yl]isoquinolin-7-ol is sourced from PubChem (CID 106540704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).