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

C21H22FN3O — CID 121415479

IUPAC1-(7-fluoroisoquinolin-1-yl)-3-phenylmethoxypiperidin-4-amine
SMILESNC1CCN(c2nccc3ccc(F)cc23)CC1OCc1ccccc1
InChIInChI=1S/C21H22FN3O/c22-17-7-6-16-8-10-24-21(18(16)12-17)25-11-9-19(23)20(13-25)26-14-15-4-2-1-3-5-15/h1-8,10,12,19-20H,9,11,13-14,23H2
InChIKeyGZDMPIPTICHHDY-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.50
Rot. Bonds4

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

1-(7-fluoroisoquinolin-1-yl)-3-phenylmethoxypiperidin-4-amine (PubChem CID 121415479) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 1-(7-fluoroisoquinolin-1-yl)-3-phenylmethoxypiperidin-4-amine.

Molecular Properties

Compound Name1-(7-fluoroisoquinolin-1-yl)-3-phenylmethoxypiperidin-4-amine
PubChem CID121415479
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name1-(7-fluoroisoquinolin-1-yl)-3-phenylmethoxypiperidin-4-amine
SMILESNC1CCN(c2nccc3ccc(F)cc23)CC1OCc1ccccc1
InChIInChI=1S/C21H22FN3O/c22-17-7-6-16-8-10-24-21(18(16)12-17)25-11-9-19(23)20(13-25)26-14-15-4-2-1-3-5-15/h1-8,10,12,19-20H,9,11,13-14,23H2
InChIKeyGZDMPIPTICHHDY-UHFFFAOYSA-N
XLogP3.50
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.50
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)-3-phenylmethoxypiperidin-4-amine?
The IUPAC name of 1-(7-fluoroisoquinolin-1-yl)-3-phenylmethoxypiperidin-4-amine (CID 121415479) is 1-(7-fluoroisoquinolin-1-yl)-3-phenylmethoxypiperidin-4-amine.
What is the SMILES notation for 1-(7-fluoroisoquinolin-1-yl)-3-phenylmethoxypiperidin-4-amine?
The canonical SMILES for 1-(7-fluoroisoquinolin-1-yl)-3-phenylmethoxypiperidin-4-amine is NC1CCN(c2nccc3ccc(F)cc23)CC1OCc1ccccc1.
What is the InChIKey of 1-(7-fluoroisoquinolin-1-yl)-3-phenylmethoxypiperidin-4-amine?
The InChIKey is GZDMPIPTICHHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c22-17-7-6-16-8-10-24-21(18(16)12-17)25-11-9-19(23)20(13-25)26-14-15-4-2-1-3-5-15/h1-8,10,12,19-20H,9,11,13-14,23H2.
What are the key properties of 1-(7-fluoroisoquinolin-1-yl)-3-phenylmethoxypiperidin-4-amine?
1-(7-fluoroisoquinolin-1-yl)-3-phenylmethoxypiperidin-4-amine has a molecular weight of 351.43 g/mol, XLogP of 3.50, 4 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-phenylmethoxypiperidin-4-amine is sourced from PubChem (CID 121415479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).