1-(5-aminoisoquinolin-6-yl)-3-methylpiperidin-3-ol

C15H19N3O — CID 106948453

IUPAC1-(5-aminoisoquinolin-6-yl)-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(c2ccc3cnccc3c2N)C1
InChIInChI=1S/C15H19N3O/c1-15(19)6-2-8-18(10-15)13-4-3-11-9-17-7-5-12(11)14(13)16/h3-5,7,9,19H,2,6,8,10,16H2,1H3
InChIKeyVOFLWTSJSWFRRC-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.17
Rot. Bonds1

About 1-(5-aminoisoquinolin-6-yl)-3-methylpiperidin-3-ol

1-(5-aminoisoquinolin-6-yl)-3-methylpiperidin-3-ol (PubChem CID 106948453) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(5-aminoisoquinolin-6-yl)-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(5-aminoisoquinolin-6-yl)-3-methylpiperidin-3-ol
PubChem CID106948453
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(5-aminoisoquinolin-6-yl)-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(c2ccc3cnccc3c2N)C1
InChIInChI=1S/C15H19N3O/c1-15(19)6-2-8-18(10-15)13-4-3-11-9-17-7-5-12(11)14(13)16/h3-5,7,9,19H,2,6,8,10,16H2,1H3
InChIKeyVOFLWTSJSWFRRC-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-4-pyridinyl)-3-methylpiperidin-3-ol
CID 69047250
6-(8-azaspiro[4.5]decan-8-yl)isoquinolin-5-amine
CID 106948060
6-(1,4-oxazepan-4-yl)isoquinolin-5-amine
CID 106948042
6-(4-ethoxypiperidin-1-yl)isoquinolin-5-amine
CID 106947725
2-[1-(5-aminoisoquinolin-6-yl)pyrrolidin-3-yl]ethanol
CID 106948479
1-(4-amino-2-iodophenyl)-4-methylazepan-4-ol
CID 107403607
6-(3,5-dimethyl-1,2,4-triazol-1-yl)isoquinolin-5-amine
CID 106948534
1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-ol
CID 113343734
3-(3,3-dimethylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 114288722
3-methyl-1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol
CID 56900542
1-(5-bromoisoquinolin-1-yl)-3-methylpiperidin-3-ol
CID 103889072
1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]-3-methylpiperidin-3-ol
CID 104876734

Frequently Asked Questions

What is the IUPAC name of 1-(5-aminoisoquinolin-6-yl)-3-methylpiperidin-3-ol?
The IUPAC name of 1-(5-aminoisoquinolin-6-yl)-3-methylpiperidin-3-ol (CID 106948453) is 1-(5-aminoisoquinolin-6-yl)-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-(5-aminoisoquinolin-6-yl)-3-methylpiperidin-3-ol?
The canonical SMILES for 1-(5-aminoisoquinolin-6-yl)-3-methylpiperidin-3-ol is CC1(O)CCCN(c2ccc3cnccc3c2N)C1.
What is the InChIKey of 1-(5-aminoisoquinolin-6-yl)-3-methylpiperidin-3-ol?
The InChIKey is VOFLWTSJSWFRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(19)6-2-8-18(10-15)13-4-3-11-9-17-7-5-12(11)14(13)16/h3-5,7,9,19H,2,6,8,10,16H2,1H3.
What are the key properties of 1-(5-aminoisoquinolin-6-yl)-3-methylpiperidin-3-ol?
1-(5-aminoisoquinolin-6-yl)-3-methylpiperidin-3-ol has a molecular weight of 257.34 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-aminoisoquinolin-6-yl)-3-methylpiperidin-3-ol is sourced from PubChem (CID 106948453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).