1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine

C15H18FN3O — CID 121415476

IUPAC1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine
SMILESCOC1CN(c2nccc3ccc(F)cc23)CCC1N
InChIInChI=1S/C15H18FN3O/c1-20-14-9-19(7-5-13(14)17)15-12-8-11(16)3-2-10(12)4-6-18-15/h2-4,6,8,13-14H,5,7,9,17H2,1H3
InChIKeyNGSGYKBIDPZBBW-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.93
Rot. Bonds2

About 1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine

1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine (PubChem CID 121415476) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine.

Molecular Properties

Compound Name1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine
PubChem CID121415476
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine
SMILESCOC1CN(c2nccc3ccc(F)cc23)CCC1N
InChIInChI=1S/C15H18FN3O/c1-20-14-9-19(7-5-13(14)17)15-12-8-11(16)3-2-10(12)4-6-18-15/h2-4,6,8,13-14H,5,7,9,17H2,1H3
InChIKeyNGSGYKBIDPZBBW-UHFFFAOYSA-N
XLogP1.93
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(7-fluoroisoquinolin-1-yl)-3-phenylmethoxypiperidin-4-amine
CID 121415479
ethyl 4-amino-1-(7-fluoroisoquinolin-1-yl)piperidine-3-carboxylate;hydrochloride
CID 121415486
[1-(7-fluoroisoquinolin-1-yl)piperidin-4-yl]methanol
CID 121417659
1-(4-amino-3-methylpiperidin-1-yl)isoquinolin-7-ol
CID 106540894
1-(4-amino-3-ethylpiperidin-1-yl)isoquinolin-7-ol
CID 106540925
methyl (Z)-3-[1-(7-fluoroisoquinolin-1-yl)piperidin-4-yl]prop-2-enoate
CID 121433037
1-(7-methoxyisoquinolin-1-yl)azetidin-3-amine
CID 106540757
2-[[[1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-yl]amino]methyl]-1H-chromeno[4,3-b]pyrrol-4-one
CID 121429872
(3S,4R)-3-methoxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-amine
CID 56869576
(3R)-1-(6-fluoroquinolin-4-yl)pyrrolidin-3-amine
CID 66954813
[1-(7-methoxyisoquinolin-1-yl)piperidin-4-yl]methanamine
CID 106536607
(2R)-2-(4-bromophenyl)-4-(7-fluoroisoquinolin-1-yl)morpholine
CID 97077681

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine?
The IUPAC name of 1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine (CID 121415476) is 1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine.
What is the SMILES notation for 1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine?
The canonical SMILES for 1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine is COC1CN(c2nccc3ccc(F)cc23)CCC1N.
What is the InChIKey of 1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine?
The InChIKey is NGSGYKBIDPZBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-20-14-9-19(7-5-13(14)17)15-12-8-11(16)3-2-10(12)4-6-18-15/h2-4,6,8,13-14H,5,7,9,17H2,1H3.
What are the key properties of 1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine?
1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine has a molecular weight of 275.33 g/mol, XLogP of 1.93, 2 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)-3-methoxypiperidin-4-amine is sourced from PubChem (CID 121415476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).