1-(7-fluoroisoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]piperidin-4-amine

C22H24FN3O — CID 121433064

IUPAC1-(7-fluoroisoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1ccc(CNC2CCN(c3nccc4ccc(F)cc34)CC2)cc1
InChIInChI=1S/C22H24FN3O/c1-27-20-6-2-16(3-7-20)15-25-19-9-12-26(13-10-19)22-21-14-18(23)5-4-17(21)8-11-24-22/h2-8,11,14,19,25H,9-10,12-13,15H2,1H3
InChIKeySKQMYOCNLXLMNE-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.14
Rot. Bonds5

About 1-(7-fluoroisoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]piperidin-4-amine

1-(7-fluoroisoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]piperidin-4-amine (PubChem CID 121433064) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is 1-(7-fluoroisoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(7-fluoroisoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]piperidin-4-amine
PubChem CID121433064
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name1-(7-fluoroisoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1ccc(CNC2CCN(c3nccc4ccc(F)cc34)CC2)cc1
InChIInChI=1S/C22H24FN3O/c1-27-20-6-2-16(3-7-20)15-25-19-9-12-26(13-10-19)22-21-14-18(23)5-4-17(21)8-11-24-22/h2-8,11,14,19,25H,9-10,12-13,15H2,1H3
InChIKeySKQMYOCNLXLMNE-UHFFFAOYSA-N
XLogP4.14
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoroisoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-(7-fluoroisoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]piperidin-4-amine (CID 121433064) is 1-(7-fluoroisoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(7-fluoroisoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(7-fluoroisoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]piperidin-4-amine is COc1ccc(CNC2CCN(c3nccc4ccc(F)cc34)CC2)cc1.
What is the InChIKey of 1-(7-fluoroisoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]piperidin-4-amine?
The InChIKey is SKQMYOCNLXLMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-27-20-6-2-16(3-7-20)15-25-19-9-12-26(13-10-19)22-21-14-18(23)5-4-17(21)8-11-24-22/h2-8,11,14,19,25H,9-10,12-13,15H2,1H3.
What are the key properties of 1-(7-fluoroisoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]piperidin-4-amine?
1-(7-fluoroisoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]piperidin-4-amine has a molecular weight of 365.45 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoroisoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 121433064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).