N-(3-piperidin-1-ylpropyl)quinolin-4-amine

C17H23N3 — CID 11021932

IUPACN-(3-piperidin-1-ylpropyl)quinolin-4-amine
SMILESc1ccc2c(NCCCN3CCCCC3)ccnc2c1
InChIInChI=1S/C17H23N3/c1-4-12-20(13-5-1)14-6-10-18-17-9-11-19-16-8-3-2-7-15(16)17/h2-3,7-9,11H,1,4-6,10,12-14H2,(H,18,19)
InChIKeyBVSJYYGMUXJMTE-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.52
Rot. Bonds5

About N-(3-piperidin-1-ylpropyl)quinolin-4-amine

N-(3-piperidin-1-ylpropyl)quinolin-4-amine (PubChem CID 11021932) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(3-piperidin-1-ylpropyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(3-piperidin-1-ylpropyl)quinolin-4-amine
PubChem CID11021932
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-(3-piperidin-1-ylpropyl)quinolin-4-amine
SMILESc1ccc2c(NCCCN3CCCCC3)ccnc2c1
InChIInChI=1S/C17H23N3/c1-4-12-20(13-5-1)14-6-10-18-17-9-11-19-16-8-3-2-7-15(16)17/h2-3,7-9,11H,1,4-6,10,12-14H2,(H,18,19)
InChIKeyBVSJYYGMUXJMTE-UHFFFAOYSA-N
XLogP3.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Chloroquine
CID 2719
Tacrine
CID 1935
4-Nitroquinoline 1-Oxide
CID 5955
Dequalinium Chloride
CID 10649
Quinoline
CID 7047
Tacrine Hydrochloride
CID 2723754
6-Methylquinoline
CID 7059
Dequalinium
CID 2993
4-Methylquinoline
CID 10285
5-Aminoisoquinoline
CID 70766
Serdemetan
CID 11609586
8-Methylquinoline
CID 11910

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylpropyl)quinolin-4-amine?
The IUPAC name of N-(3-piperidin-1-ylpropyl)quinolin-4-amine (CID 11021932) is N-(3-piperidin-1-ylpropyl)quinolin-4-amine.
What is the SMILES notation for N-(3-piperidin-1-ylpropyl)quinolin-4-amine?
The canonical SMILES for N-(3-piperidin-1-ylpropyl)quinolin-4-amine is c1ccc2c(NCCCN3CCCCC3)ccnc2c1.
What is the InChIKey of N-(3-piperidin-1-ylpropyl)quinolin-4-amine?
The InChIKey is BVSJYYGMUXJMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-4-12-20(13-5-1)14-6-10-18-17-9-11-19-16-8-3-2-7-15(16)17/h2-3,7-9,11H,1,4-6,10,12-14H2,(H,18,19).
What are the key properties of N-(3-piperidin-1-ylpropyl)quinolin-4-amine?
N-(3-piperidin-1-ylpropyl)quinolin-4-amine has a molecular weight of 269.39 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylpropyl)quinolin-4-amine is sourced from PubChem (CID 11021932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).