N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylquinolin-4-amine

C21H22FN3 — CID 118722386

IUPACN-[(4-fluorophenyl)methyl]-2-piperidin-1-ylquinolin-4-amine
SMILESFc1ccc(CNc2cc(N3CCCCC3)nc3ccccc23)cc1
InChIInChI=1S/C21H22FN3/c22-17-10-8-16(9-11-17)15-23-20-14-21(25-12-4-1-5-13-25)24-19-7-3-2-6-18(19)20/h2-3,6-11,14H,1,4-5,12-13,15H2,(H,23,24)
InChIKeyXIYTUESWMLWKHC-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.98
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylquinolin-4-amine

N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylquinolin-4-amine (PubChem CID 118722386) has the molecular formula C21H22FN3 and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylquinolin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-piperidin-1-ylquinolin-4-amine
PubChem CID118722386
Molecular FormulaC21H22FN3
Molecular Weight335.43 g/mol
Exact Mass335.18
IUPAC NameN-[(4-fluorophenyl)methyl]-2-piperidin-1-ylquinolin-4-amine
SMILESFc1ccc(CNc2cc(N3CCCCC3)nc3ccccc23)cc1
InChIInChI=1S/C21H22FN3/c22-17-10-8-16(9-11-17)15-23-20-14-21(25-12-4-1-5-13-25)24-19-7-3-2-6-18(19)20/h2-3,6-11,14H,1,4-5,12-13,15H2,(H,23,24)
InChIKeyXIYTUESWMLWKHC-UHFFFAOYSA-N
XLogP4.98
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylquinolin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylquinolin-4-amine (CID 118722386) is N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylquinolin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylquinolin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylquinolin-4-amine is Fc1ccc(CNc2cc(N3CCCCC3)nc3ccccc23)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylquinolin-4-amine?
The InChIKey is XIYTUESWMLWKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3/c22-17-10-8-16(9-11-17)15-23-20-14-21(25-12-4-1-5-13-25)24-19-7-3-2-6-18(19)20/h2-3,6-11,14H,1,4-5,12-13,15H2,(H,23,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylquinolin-4-amine?
N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylquinolin-4-amine has a molecular weight of 335.43 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylquinolin-4-amine is sourced from PubChem (CID 118722386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).