1-(4-amino-3-methylpiperidin-1-yl)isoquinolin-7-ol

C15H19N3O — CID 106540894

IUPAC1-(4-amino-3-methylpiperidin-1-yl)isoquinolin-7-ol
SMILESCC1CN(c2nccc3ccc(O)cc23)CCC1N
InChIInChI=1S/C15H19N3O/c1-10-9-18(7-5-14(10)16)15-13-8-12(19)3-2-11(13)4-6-17-15/h2-4,6,8,10,14,19H,5,7,9,16H2,1H3
InChIKeyMZBXJSKHRBAVIT-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.11
Rot. Bonds1

About 1-(4-amino-3-methylpiperidin-1-yl)isoquinolin-7-ol

1-(4-amino-3-methylpiperidin-1-yl)isoquinolin-7-ol (PubChem CID 106540894) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(4-amino-3-methylpiperidin-1-yl)isoquinolin-7-ol.

Molecular Properties

Compound Name1-(4-amino-3-methylpiperidin-1-yl)isoquinolin-7-ol
PubChem CID106540894
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(4-amino-3-methylpiperidin-1-yl)isoquinolin-7-ol
SMILESCC1CN(c2nccc3ccc(O)cc23)CCC1N
InChIInChI=1S/C15H19N3O/c1-10-9-18(7-5-14(10)16)15-13-8-12(19)3-2-11(13)4-6-17-15/h2-4,6,8,10,14,19H,5,7,9,16H2,1H3
InChIKeyMZBXJSKHRBAVIT-UHFFFAOYSA-N
XLogP2.11
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methylpiperidin-1-yl)isoquinolin-7-ol?
The IUPAC name of 1-(4-amino-3-methylpiperidin-1-yl)isoquinolin-7-ol (CID 106540894) is 1-(4-amino-3-methylpiperidin-1-yl)isoquinolin-7-ol.
What is the SMILES notation for 1-(4-amino-3-methylpiperidin-1-yl)isoquinolin-7-ol?
The canonical SMILES for 1-(4-amino-3-methylpiperidin-1-yl)isoquinolin-7-ol is CC1CN(c2nccc3ccc(O)cc23)CCC1N.
What is the InChIKey of 1-(4-amino-3-methylpiperidin-1-yl)isoquinolin-7-ol?
The InChIKey is MZBXJSKHRBAVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-9-18(7-5-14(10)16)15-13-8-12(19)3-2-11(13)4-6-17-15/h2-4,6,8,10,14,19H,5,7,9,16H2,1H3.
What are the key properties of 1-(4-amino-3-methylpiperidin-1-yl)isoquinolin-7-ol?
1-(4-amino-3-methylpiperidin-1-yl)isoquinolin-7-ol has a molecular weight of 257.34 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methylpiperidin-1-yl)isoquinolin-7-ol is sourced from PubChem (CID 106540894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).