N-(4-piperidin-4-ylphenyl)quinolin-4-amine

C20H21N3 — CID 171544473

IUPACN-(4-piperidin-4-ylphenyl)quinolin-4-amine
SMILESc1ccc2c(Nc3ccc(C4CCNCC4)cc3)ccnc2c1
InChIInChI=1S/C20H21N3/c1-2-4-19-18(3-1)20(11-14-22-19)23-17-7-5-15(6-8-17)16-9-12-21-13-10-16/h1-8,11,14,16,21H,9-10,12-13H2,(H,22,23)
InChIKeyFIHTWWIQBCYRFV-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.45
Rot. Bonds3

About N-(4-piperidin-4-ylphenyl)quinolin-4-amine

N-(4-piperidin-4-ylphenyl)quinolin-4-amine (PubChem CID 171544473) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(4-piperidin-4-ylphenyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(4-piperidin-4-ylphenyl)quinolin-4-amine
PubChem CID171544473
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC NameN-(4-piperidin-4-ylphenyl)quinolin-4-amine
SMILESc1ccc2c(Nc3ccc(C4CCNCC4)cc3)ccnc2c1
InChIInChI=1S/C20H21N3/c1-2-4-19-18(3-1)20(11-14-22-19)23-17-7-5-15(6-8-17)16-9-12-21-13-10-16/h1-8,11,14,16,21H,9-10,12-13H2,(H,22,23)
InChIKeyFIHTWWIQBCYRFV-UHFFFAOYSA-N
XLogP4.45
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-4-ylphenyl)quinolin-4-amine?
The IUPAC name of N-(4-piperidin-4-ylphenyl)quinolin-4-amine (CID 171544473) is N-(4-piperidin-4-ylphenyl)quinolin-4-amine.
What is the SMILES notation for N-(4-piperidin-4-ylphenyl)quinolin-4-amine?
The canonical SMILES for N-(4-piperidin-4-ylphenyl)quinolin-4-amine is c1ccc2c(Nc3ccc(C4CCNCC4)cc3)ccnc2c1.
What is the InChIKey of N-(4-piperidin-4-ylphenyl)quinolin-4-amine?
The InChIKey is FIHTWWIQBCYRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-2-4-19-18(3-1)20(11-14-22-19)23-17-7-5-15(6-8-17)16-9-12-21-13-10-16/h1-8,11,14,16,21H,9-10,12-13H2,(H,22,23).
What are the key properties of N-(4-piperidin-4-ylphenyl)quinolin-4-amine?
N-(4-piperidin-4-ylphenyl)quinolin-4-amine has a molecular weight of 303.41 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-4-ylphenyl)quinolin-4-amine is sourced from PubChem (CID 171544473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).