5-methoxy-N-[(1-methylpiperidin-2-yl)methyl]isoquinolin-1-amine

C17H23N3O — CID 106538194

IUPAC5-methoxy-N-[(1-methylpiperidin-2-yl)methyl]isoquinolin-1-amine
SMILESCOc1cccc2c(NCC3CCCCN3C)nccc12
InChIInChI=1S/C17H23N3O/c1-20-11-4-3-6-13(20)12-19-17-15-7-5-8-16(21-2)14(15)9-10-18-17/h5,7-10,13H,3-4,6,11-12H2,1-2H3,(H,18,19)
InChIKeyFVCASIJKFAMGOO-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.14
Rot. Bonds4

About 5-methoxy-N-[(1-methylpiperidin-2-yl)methyl]isoquinolin-1-amine

5-methoxy-N-[(1-methylpiperidin-2-yl)methyl]isoquinolin-1-amine (PubChem CID 106538194) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-methoxy-N-[(1-methylpiperidin-2-yl)methyl]isoquinolin-1-amine.

Molecular Properties

Compound Name5-methoxy-N-[(1-methylpiperidin-2-yl)methyl]isoquinolin-1-amine
PubChem CID106538194
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-methoxy-N-[(1-methylpiperidin-2-yl)methyl]isoquinolin-1-amine
SMILESCOc1cccc2c(NCC3CCCCN3C)nccc12
InChIInChI=1S/C17H23N3O/c1-20-11-4-3-6-13(20)12-19-17-15-7-5-8-16(21-2)14(15)9-10-18-17/h5,7-10,13H,3-4,6,11-12H2,1-2H3,(H,18,19)
InChIKeyFVCASIJKFAMGOO-UHFFFAOYSA-N
XLogP3.14
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-aminocyclohexyl)methyl]-5-methoxyisoquinolin-1-amine
CID 106128982
N-cyclopentyl-5-methoxyisoquinolin-1-amine
CID 106537183
1-[1-(5-methoxyisoquinolin-1-yl)piperidin-2-yl]-N-methylmethanamine
CID 106540539
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 103172390
5-methoxy-N-(1-methylpiperidin-4-yl)isoquinolin-1-amine
CID 106537508
2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83950521
5-methoxy-4-[(1-methylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136975085
1-cyclopropyl-N'-(5-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106540945
1-[2-(bromomethyl)azepan-1-yl]-5-methoxyisoquinoline
CID 106543196
2-N-(5-methoxyisoquinolin-1-yl)cyclohexane-1,2-diamine
CID 106540400
N-(1-ethylpiperidin-3-yl)-5-methoxyisoquinolin-1-amine
CID 106537883
5-methoxy-N-(4-methylpiperazin-1-yl)isoquinolin-1-amine
CID 106539308

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[(1-methylpiperidin-2-yl)methyl]isoquinolin-1-amine?
The IUPAC name of 5-methoxy-N-[(1-methylpiperidin-2-yl)methyl]isoquinolin-1-amine (CID 106538194) is 5-methoxy-N-[(1-methylpiperidin-2-yl)methyl]isoquinolin-1-amine.
What is the SMILES notation for 5-methoxy-N-[(1-methylpiperidin-2-yl)methyl]isoquinolin-1-amine?
The canonical SMILES for 5-methoxy-N-[(1-methylpiperidin-2-yl)methyl]isoquinolin-1-amine is COc1cccc2c(NCC3CCCCN3C)nccc12.
What is the InChIKey of 5-methoxy-N-[(1-methylpiperidin-2-yl)methyl]isoquinolin-1-amine?
The InChIKey is FVCASIJKFAMGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-20-11-4-3-6-13(20)12-19-17-15-7-5-8-16(21-2)14(15)9-10-18-17/h5,7-10,13H,3-4,6,11-12H2,1-2H3,(H,18,19).
What are the key properties of 5-methoxy-N-[(1-methylpiperidin-2-yl)methyl]isoquinolin-1-amine?
5-methoxy-N-[(1-methylpiperidin-2-yl)methyl]isoquinolin-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[(1-methylpiperidin-2-yl)methyl]isoquinolin-1-amine is sourced from PubChem (CID 106538194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).