5-methoxy-N-(2-piperidin-3-ylethyl)isoquinolin-1-amine

C17H23N3O — CID 106540594

IUPAC5-methoxy-N-(2-piperidin-3-ylethyl)isoquinolin-1-amine
SMILESCOc1cccc2c(NCCC3CCCNC3)nccc12
InChIInChI=1S/C17H23N3O/c1-21-16-6-2-5-15-14(16)8-11-20-17(15)19-10-7-13-4-3-9-18-12-13/h2,5-6,8,11,13,18H,3-4,7,9-10,12H2,1H3,(H,19,20)
InChIKeyMQSDYMGVDWGVNF-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.05
Rot. Bonds5

About 5-methoxy-N-(2-piperidin-3-ylethyl)isoquinolin-1-amine

5-methoxy-N-(2-piperidin-3-ylethyl)isoquinolin-1-amine (PubChem CID 106540594) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-methoxy-N-(2-piperidin-3-ylethyl)isoquinolin-1-amine.

Molecular Properties

Compound Name5-methoxy-N-(2-piperidin-3-ylethyl)isoquinolin-1-amine
PubChem CID106540594
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-methoxy-N-(2-piperidin-3-ylethyl)isoquinolin-1-amine
SMILESCOc1cccc2c(NCCC3CCCNC3)nccc12
InChIInChI=1S/C17H23N3O/c1-21-16-6-2-5-15-14(16)8-11-20-17(15)19-10-7-13-4-3-9-18-12-13/h2,5-6,8,11,13,18H,3-4,7,9-10,12H2,1H3,(H,19,20)
InChIKeyMQSDYMGVDWGVNF-UHFFFAOYSA-N
XLogP3.05
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2,6-dimethoxyphenoxy)ethyl]piperidine
CID 62356017
N-[(4-aminocyclohexyl)methyl]-5-methoxyisoquinolin-1-amine
CID 106128982
3-fluoro-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 63629585
3-bromo-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 63629746
N-(3-chloropropyl)-5-methoxyisoquinolin-1-amine
CID 106542642
5-methoxy-1-piperidin-3-yloxyisoquinoline
CID 106542054
N-(2-piperidin-3-ylethyl)pyrimidin-2-amine
CID 63629890
N-but-3-enyl-5-methoxyisoquinolin-1-amine
CID 106539509
1-cyclopropyl-N'-(5-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106540945
3-(2-piperidin-3-ylethylamino)pyrazine-2-carbonitrile
CID 55247646
4-methyl-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 63629904
2-[(5-methoxyisoquinolin-1-yl)amino]ethylurea
CID 106539332

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(2-piperidin-3-ylethyl)isoquinolin-1-amine?
The IUPAC name of 5-methoxy-N-(2-piperidin-3-ylethyl)isoquinolin-1-amine (CID 106540594) is 5-methoxy-N-(2-piperidin-3-ylethyl)isoquinolin-1-amine.
What is the SMILES notation for 5-methoxy-N-(2-piperidin-3-ylethyl)isoquinolin-1-amine?
The canonical SMILES for 5-methoxy-N-(2-piperidin-3-ylethyl)isoquinolin-1-amine is COc1cccc2c(NCCC3CCCNC3)nccc12.
What is the InChIKey of 5-methoxy-N-(2-piperidin-3-ylethyl)isoquinolin-1-amine?
The InChIKey is MQSDYMGVDWGVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-21-16-6-2-5-15-14(16)8-11-20-17(15)19-10-7-13-4-3-9-18-12-13/h2,5-6,8,11,13,18H,3-4,7,9-10,12H2,1H3,(H,19,20).
What are the key properties of 5-methoxy-N-(2-piperidin-3-ylethyl)isoquinolin-1-amine?
5-methoxy-N-(2-piperidin-3-ylethyl)isoquinolin-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(2-piperidin-3-ylethyl)isoquinolin-1-amine is sourced from PubChem (CID 106540594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).