[1-(7-methoxyisoquinolin-1-yl)piperidin-4-yl]methanamine

C16H21N3O — CID 106536607

IUPAC[1-(7-methoxyisoquinolin-1-yl)piperidin-4-yl]methanamine
SMILESCOc1ccc2ccnc(N3CCC(CN)CC3)c2c1
InChIInChI=1S/C16H21N3O/c1-20-14-3-2-13-4-7-18-16(15(13)10-14)19-8-5-12(11-17)6-9-19/h2-4,7,10,12H,5-6,8-9,11,17H2,1H3
InChIKeyFQMYRZQZJDHPFY-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.42
Rot. Bonds3

About [1-(7-methoxyisoquinolin-1-yl)piperidin-4-yl]methanamine

[1-(7-methoxyisoquinolin-1-yl)piperidin-4-yl]methanamine (PubChem CID 106536607) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is [1-(7-methoxyisoquinolin-1-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(7-methoxyisoquinolin-1-yl)piperidin-4-yl]methanamine
PubChem CID106536607
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name[1-(7-methoxyisoquinolin-1-yl)piperidin-4-yl]methanamine
SMILESCOc1ccc2ccnc(N3CCC(CN)CC3)c2c1
InChIInChI=1S/C16H21N3O/c1-20-14-3-2-13-4-7-18-16(15(13)10-14)19-8-5-12(11-17)6-9-19/h2-4,7,10,12H,5-6,8-9,11,17H2,1H3
InChIKeyFQMYRZQZJDHPFY-UHFFFAOYSA-N
XLogP2.42
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-methoxyisoquinolin-1-yl)azetidin-3-amine
CID 106540757
1-(7-methoxyisoquinolin-1-yl)piperidine-4-carboximidamide
CID 106537108
7-methoxy-1-piperazin-1-ylisoquinoline
CID 23155836
[1-(7-methoxyisoquinolin-1-yl)-3-methylpyrrolidin-2-yl]methanamine
CID 106543635
8-(7-methoxyisoquinolin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 106540422
1-(7-methoxyisoquinolin-1-yl)-4-methylazepan-4-ol
CID 107407376
1-(7-methoxyisoquinolin-1-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 106536320
1-(3,3-dimethylpiperazin-1-yl)-7-methoxyisoquinoline
CID 106536915
2-(chloromethyl)-4-(7-methoxyisoquinolin-1-yl)morpholine
CID 106542980
1-(7-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde
CID 106542379
1-(4-ethylpiperazin-1-yl)-6-methoxyisoquinoline
CID 23155942
1-[4-(2-aminoethyl)piperidin-1-yl]isoquinolin-7-ol
CID 106540698

Frequently Asked Questions

What is the IUPAC name of [1-(7-methoxyisoquinolin-1-yl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(7-methoxyisoquinolin-1-yl)piperidin-4-yl]methanamine (CID 106536607) is [1-(7-methoxyisoquinolin-1-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(7-methoxyisoquinolin-1-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(7-methoxyisoquinolin-1-yl)piperidin-4-yl]methanamine is COc1ccc2ccnc(N3CCC(CN)CC3)c2c1.
What is the InChIKey of [1-(7-methoxyisoquinolin-1-yl)piperidin-4-yl]methanamine?
The InChIKey is FQMYRZQZJDHPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-20-14-3-2-13-4-7-18-16(15(13)10-14)19-8-5-12(11-17)6-9-19/h2-4,7,10,12H,5-6,8-9,11,17H2,1H3.
What are the key properties of [1-(7-methoxyisoquinolin-1-yl)piperidin-4-yl]methanamine?
[1-(7-methoxyisoquinolin-1-yl)piperidin-4-yl]methanamine has a molecular weight of 271.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-methoxyisoquinolin-1-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 106536607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).