2-[1-(8-amino-3-methylisoquinolin-5-yl)piperidin-3-yl]ethanol

C17H23N3O — CID 107227039

IUPAC2-[1-(8-amino-3-methylisoquinolin-5-yl)piperidin-3-yl]ethanol
SMILESCc1cc2c(N3CCCC(CCO)C3)ccc(N)c2cn1
InChIInChI=1S/C17H23N3O/c1-12-9-14-15(10-19-12)16(18)4-5-17(14)20-7-2-3-13(11-20)6-8-21/h4-5,9-10,13,21H,2-3,6-8,11,18H2,1H3
InChIKeyGNKPFBKXZWXEPG-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.72
Rot. Bonds3

About 2-[1-(8-amino-3-methylisoquinolin-5-yl)piperidin-3-yl]ethanol

2-[1-(8-amino-3-methylisoquinolin-5-yl)piperidin-3-yl]ethanol (PubChem CID 107227039) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[1-(8-amino-3-methylisoquinolin-5-yl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(8-amino-3-methylisoquinolin-5-yl)piperidin-3-yl]ethanol
PubChem CID107227039
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[1-(8-amino-3-methylisoquinolin-5-yl)piperidin-3-yl]ethanol
SMILESCc1cc2c(N3CCCC(CCO)C3)ccc(N)c2cn1
InChIInChI=1S/C17H23N3O/c1-12-9-14-15(10-19-12)16(18)4-5-17(14)20-7-2-3-13(11-20)6-8-21/h4-5,9-10,13,21H,2-3,6-8,11,18H2,1H3
InChIKeyGNKPFBKXZWXEPG-UHFFFAOYSA-N
XLogP2.72
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(8-amino-3-methylisoquinolin-5-yl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(8-amino-3-methylisoquinolin-5-yl)piperidin-3-yl]ethanol (CID 107227039) is 2-[1-(8-amino-3-methylisoquinolin-5-yl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(8-amino-3-methylisoquinolin-5-yl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(8-amino-3-methylisoquinolin-5-yl)piperidin-3-yl]ethanol is Cc1cc2c(N3CCCC(CCO)C3)ccc(N)c2cn1.
What is the InChIKey of 2-[1-(8-amino-3-methylisoquinolin-5-yl)piperidin-3-yl]ethanol?
The InChIKey is GNKPFBKXZWXEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-9-14-15(10-19-12)16(18)4-5-17(14)20-7-2-3-13(11-20)6-8-21/h4-5,9-10,13,21H,2-3,6-8,11,18H2,1H3.
What are the key properties of 2-[1-(8-amino-3-methylisoquinolin-5-yl)piperidin-3-yl]ethanol?
2-[1-(8-amino-3-methylisoquinolin-5-yl)piperidin-3-yl]ethanol has a molecular weight of 285.39 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(8-amino-3-methylisoquinolin-5-yl)piperidin-3-yl]ethanol is sourced from PubChem (CID 107227039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).