N-(2-piperidin-1-ylethyl)quinolin-4-amine

C16H21N3 — CID 10956157

IUPACN-(2-piperidin-1-ylethyl)quinolin-4-amine
SMILESc1ccc2c(NCCN3CCCCC3)ccnc2c1
InChIInChI=1S/C16H21N3/c1-4-11-19(12-5-1)13-10-18-16-8-9-17-15-7-3-2-6-14(15)16/h2-3,6-9H,1,4-5,10-13H2,(H,17,18)
InChIKeyKPSFNCKPJLRCDE-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.13
Rot. Bonds4

About N-(2-piperidin-1-ylethyl)quinolin-4-amine

N-(2-piperidin-1-ylethyl)quinolin-4-amine (PubChem CID 10956157) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-(2-piperidin-1-ylethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(2-piperidin-1-ylethyl)quinolin-4-amine
PubChem CID10956157
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-(2-piperidin-1-ylethyl)quinolin-4-amine
SMILESc1ccc2c(NCCN3CCCCC3)ccnc2c1
InChIInChI=1S/C16H21N3/c1-4-11-19(12-5-1)13-10-18-16-8-9-17-15-7-3-2-6-14(15)16/h2-3,6-9H,1,4-5,10-13H2,(H,17,18)
InChIKeyKPSFNCKPJLRCDE-UHFFFAOYSA-N
XLogP3.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Chloroquine
CID 2719
Dequalinium Chloride
CID 10649
Quinoline
CID 7047
Dequalinium
CID 2993
4-Methylquinoline
CID 10285
5-Aminoisoquinoline
CID 70766
8-Methylquinoline
CID 11910
1,7-Phenanthroline
CID 67473
4-Amino-2-methylquinoline
CID 81116
3-Aminoquinoline
CID 11375
5-Aminoquinoline
CID 11911
(+-)-Desethylchloroquine
CID 95478

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylethyl)quinolin-4-amine?
The IUPAC name of N-(2-piperidin-1-ylethyl)quinolin-4-amine (CID 10956157) is N-(2-piperidin-1-ylethyl)quinolin-4-amine.
What is the SMILES notation for N-(2-piperidin-1-ylethyl)quinolin-4-amine?
The canonical SMILES for N-(2-piperidin-1-ylethyl)quinolin-4-amine is c1ccc2c(NCCN3CCCCC3)ccnc2c1.
What is the InChIKey of N-(2-piperidin-1-ylethyl)quinolin-4-amine?
The InChIKey is KPSFNCKPJLRCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-4-11-19(12-5-1)13-10-18-16-8-9-17-15-7-3-2-6-14(15)16/h2-3,6-9H,1,4-5,10-13H2,(H,17,18).
What are the key properties of N-(2-piperidin-1-ylethyl)quinolin-4-amine?
N-(2-piperidin-1-ylethyl)quinolin-4-amine has a molecular weight of 255.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylethyl)quinolin-4-amine is sourced from PubChem (CID 10956157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).