1-(7-methoxyisoquinolin-1-yl)piperidine-4-carboximidamide

C16H20N4O — CID 106537108

IUPAC1-(7-methoxyisoquinolin-1-yl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1CCN(c2nccc3ccc(OC)cc23)CC1
InChIInChI=1S/C16H20N4O/c1-21-13-3-2-11-4-7-19-16(14(11)10-13)20-8-5-12(6-9-20)15(17)18/h2-4,7,10,12H,5-6,8-9H2,1H3,(H3,17,18)
InChIKeyMFHVDAZWAWVTCZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.40
Rot. Bonds3

About 1-(7-methoxyisoquinolin-1-yl)piperidine-4-carboximidamide

1-(7-methoxyisoquinolin-1-yl)piperidine-4-carboximidamide (PubChem CID 106537108) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(7-methoxyisoquinolin-1-yl)piperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(7-methoxyisoquinolin-1-yl)piperidine-4-carboximidamide
PubChem CID106537108
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-(7-methoxyisoquinolin-1-yl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1CCN(c2nccc3ccc(OC)cc23)CC1
InChIInChI=1S/C16H20N4O/c1-21-13-3-2-11-4-7-19-16(14(11)10-13)20-8-5-12(6-9-20)15(17)18/h2-4,7,10,12H,5-6,8-9H2,1H3,(H3,17,18)
InChIKeyMFHVDAZWAWVTCZ-UHFFFAOYSA-N
XLogP2.40
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[1-(7-methoxyisoquinolin-1-yl)piperidin-4-yl]methanamine
CID 106536607
1-(7-methoxyisoquinolin-1-yl)azetidin-3-amine
CID 106540757
7-methoxy-1-piperazin-1-ylisoquinoline
CID 23155836
1-(7-methoxyisoquinolin-1-yl)-4-methylazepan-4-ol
CID 107407376
8-(7-methoxyisoquinolin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 106540422
1-(7-methoxyisoquinolin-1-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 106536320
1-[1-(7-methoxyisoquinolin-1-yl)piperidin-2-yl]ethanone
CID 106536762
1-(6-methoxyquinazolin-4-yl)piperidine-4-carboxamide
CID 21002803
1-(7-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde
CID 106542379
[1-(7-methoxyisoquinolin-1-yl)-3-methylpyrrolidin-2-yl]methanamine
CID 106543635
1-(3,3-dimethylpiperazin-1-yl)-7-methoxyisoquinoline
CID 106536915
2-(chloromethyl)-4-(7-methoxyisoquinolin-1-yl)morpholine
CID 106542980

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxyisoquinolin-1-yl)piperidine-4-carboximidamide?
The IUPAC name of 1-(7-methoxyisoquinolin-1-yl)piperidine-4-carboximidamide (CID 106537108) is 1-(7-methoxyisoquinolin-1-yl)piperidine-4-carboximidamide.
What is the SMILES notation for 1-(7-methoxyisoquinolin-1-yl)piperidine-4-carboximidamide?
The canonical SMILES for 1-(7-methoxyisoquinolin-1-yl)piperidine-4-carboximidamide is [H]/N=C(\N)C1CCN(c2nccc3ccc(OC)cc23)CC1.
What is the InChIKey of 1-(7-methoxyisoquinolin-1-yl)piperidine-4-carboximidamide?
The InChIKey is MFHVDAZWAWVTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-21-13-3-2-11-4-7-19-16(14(11)10-13)20-8-5-12(6-9-20)15(17)18/h2-4,7,10,12H,5-6,8-9H2,1H3,(H3,17,18).
What are the key properties of 1-(7-methoxyisoquinolin-1-yl)piperidine-4-carboximidamide?
1-(7-methoxyisoquinolin-1-yl)piperidine-4-carboximidamide has a molecular weight of 284.36 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxyisoquinolin-1-yl)piperidine-4-carboximidamide is sourced from PubChem (CID 106537108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).