8-(1-methylpiperidin-4-yl)oxyisoquinolin-5-amine

C15H19N3O — CID 103139941

IUPAC8-(1-methylpiperidin-4-yl)oxyisoquinolin-5-amine
SMILESCN1CCC(Oc2ccc(N)c3ccncc23)CC1
InChIInChI=1S/C15H19N3O/c1-18-8-5-11(6-9-18)19-15-3-2-14(16)12-4-7-17-10-13(12)15/h2-4,7,10-11H,5-6,8-9,16H2,1H3
InChIKeyBMOZOCLZRKWDSZ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.29
Rot. Bonds2

About 8-(1-methylpiperidin-4-yl)oxyisoquinolin-5-amine

8-(1-methylpiperidin-4-yl)oxyisoquinolin-5-amine (PubChem CID 103139941) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 8-(1-methylpiperidin-4-yl)oxyisoquinolin-5-amine.

Molecular Properties

Compound Name8-(1-methylpiperidin-4-yl)oxyisoquinolin-5-amine
PubChem CID103139941
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name8-(1-methylpiperidin-4-yl)oxyisoquinolin-5-amine
SMILESCN1CCC(Oc2ccc(N)c3ccncc23)CC1
InChIInChI=1S/C15H19N3O/c1-18-8-5-11(6-9-18)19-15-3-2-14(16)12-4-7-17-10-13(12)15/h2-4,7,10-11H,5-6,8-9,16H2,1H3
InChIKeyBMOZOCLZRKWDSZ-UHFFFAOYSA-N
XLogP2.29
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-cyclopentyloxyisoquinolin-8-amine
CID 43448847
5-cyclohexyloxyisoquinolin-8-amine
CID 43382765
5-ethyl-6-(1-methylpiperidin-4-yl)oxyisoquinoline
CID 70968627
3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile
CID 114287934
4-(1-methylpiperidin-4-yl)oxypyridine
CID 18723159
3-(1-methylpiperidin-4-yl)oxypyridine
CID 18433351
8-ethoxyisoquinolin-5-amine
CID 103139590
2-methyl-N-[[3-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 105074819
8-N-methyl-8-N-(1-methylpiperidin-3-yl)isoquinoline-5,8-diamine
CID 103138139
5-chloro-4-(1-methylpiperidin-4-yl)oxypyridin-3-amine
CID 90209549
8-propoxyisoquinolin-5-amine
CID 103139869
tert-butyl 4-(5-bromoisoquinolin-8-yl)oxypiperidine-1-carboxylate
CID 130367043

Frequently Asked Questions

What is the IUPAC name of 8-(1-methylpiperidin-4-yl)oxyisoquinolin-5-amine?
The IUPAC name of 8-(1-methylpiperidin-4-yl)oxyisoquinolin-5-amine (CID 103139941) is 8-(1-methylpiperidin-4-yl)oxyisoquinolin-5-amine.
What is the SMILES notation for 8-(1-methylpiperidin-4-yl)oxyisoquinolin-5-amine?
The canonical SMILES for 8-(1-methylpiperidin-4-yl)oxyisoquinolin-5-amine is CN1CCC(Oc2ccc(N)c3ccncc23)CC1.
What is the InChIKey of 8-(1-methylpiperidin-4-yl)oxyisoquinolin-5-amine?
The InChIKey is BMOZOCLZRKWDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18-8-5-11(6-9-18)19-15-3-2-14(16)12-4-7-17-10-13(12)15/h2-4,7,10-11H,5-6,8-9,16H2,1H3.
What are the key properties of 8-(1-methylpiperidin-4-yl)oxyisoquinolin-5-amine?
8-(1-methylpiperidin-4-yl)oxyisoquinolin-5-amine has a molecular weight of 257.34 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylpiperidin-4-yl)oxyisoquinolin-5-amine is sourced from PubChem (CID 103139941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).