8-(3,4-dimethylpiperidin-1-yl)isoquinolin-5-amine

C16H21N3 — CID 103139285

IUPAC8-(3,4-dimethylpiperidin-1-yl)isoquinolin-5-amine
SMILESCC1CCN(c2ccc(N)c3ccncc23)CC1C
InChIInChI=1S/C16H21N3/c1-11-6-8-19(10-12(11)2)16-4-3-15(17)13-5-7-18-9-14(13)16/h3-5,7,9,11-12H,6,8,10,17H2,1-2H3
InChIKeyWCAODJRNXNAETE-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.30
Rot. Bonds1

About 8-(3,4-dimethylpiperidin-1-yl)isoquinolin-5-amine

8-(3,4-dimethylpiperidin-1-yl)isoquinolin-5-amine (PubChem CID 103139285) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 8-(3,4-dimethylpiperidin-1-yl)isoquinolin-5-amine.

Molecular Properties

Compound Name8-(3,4-dimethylpiperidin-1-yl)isoquinolin-5-amine
PubChem CID103139285
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name8-(3,4-dimethylpiperidin-1-yl)isoquinolin-5-amine
SMILESCC1CCN(c2ccc(N)c3ccncc23)CC1C
InChIInChI=1S/C16H21N3/c1-11-6-8-19(10-12(11)2)16-4-3-15(17)13-5-7-18-9-14(13)16/h3-5,7,9,11-12H,6,8,10,17H2,1-2H3
InChIKeyWCAODJRNXNAETE-UHFFFAOYSA-N
XLogP3.30
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]isoquinolin-5-amine
CID 103138826
4-(5-aminoisoquinolin-8-yl)morpholine-2-carbonitrile
CID 103138674
1-(8-aminoisoquinolin-5-yl)pyrrolidine-3,4-diol
CID 106667448
1-(3-amino-4-pyridinyl)-4-methylpiperidin-3-ol
CID 102955442
8-(2,5-dimethylmorpholin-4-yl)isoquinolin-5-amine
CID 103137270
2-[4-(5-aminoisoquinolin-8-yl)piperazin-1-yl]ethanol
CID 103137236
4-methyl-1-(8-nitroisoquinolin-5-yl)piperidin-3-ol
CID 103896218
isoquinoline-5,8-diamine;hydrochloride
CID 75525603
1-(5-nitroisoquinolin-8-yl)pyrrolidin-3-ol
CID 103142543
[1-(5-aminoisoquinolin-8-yl)azepan-2-yl]methanol
CID 103139323
8-(1-methylpiperidin-4-yl)oxyisoquinolin-5-amine
CID 103139941
4-(3-methylsulfanylpyrrolidin-1-yl)pyridin-3-amine
CID 127004804

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dimethylpiperidin-1-yl)isoquinolin-5-amine?
The IUPAC name of 8-(3,4-dimethylpiperidin-1-yl)isoquinolin-5-amine (CID 103139285) is 8-(3,4-dimethylpiperidin-1-yl)isoquinolin-5-amine.
What is the SMILES notation for 8-(3,4-dimethylpiperidin-1-yl)isoquinolin-5-amine?
The canonical SMILES for 8-(3,4-dimethylpiperidin-1-yl)isoquinolin-5-amine is CC1CCN(c2ccc(N)c3ccncc23)CC1C.
What is the InChIKey of 8-(3,4-dimethylpiperidin-1-yl)isoquinolin-5-amine?
The InChIKey is WCAODJRNXNAETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11-6-8-19(10-12(11)2)16-4-3-15(17)13-5-7-18-9-14(13)16/h3-5,7,9,11-12H,6,8,10,17H2,1-2H3.
What are the key properties of 8-(3,4-dimethylpiperidin-1-yl)isoquinolin-5-amine?
8-(3,4-dimethylpiperidin-1-yl)isoquinolin-5-amine has a molecular weight of 255.37 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dimethylpiperidin-1-yl)isoquinolin-5-amine is sourced from PubChem (CID 103139285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).