2-[1-(5-aminoquinolin-6-yl)piperidin-4-yl]oxyethanol

C16H21N3O2 — CID 82011421

IUPAC2-[1-(5-aminoquinolin-6-yl)piperidin-4-yl]oxyethanol
SMILESNc1c(N2CCC(OCCO)CC2)ccc2ncccc12
InChIInChI=1S/C16H21N3O2/c17-16-13-2-1-7-18-14(13)3-4-15(16)19-8-5-12(6-9-19)21-11-10-20/h1-4,7,12,20H,5-6,8-11,17H2
InChIKeyIHVJAOIRJYFGHP-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.79
Rot. Bonds4

About 2-[1-(5-aminoquinolin-6-yl)piperidin-4-yl]oxyethanol

2-[1-(5-aminoquinolin-6-yl)piperidin-4-yl]oxyethanol (PubChem CID 82011421) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[1-(5-aminoquinolin-6-yl)piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(5-aminoquinolin-6-yl)piperidin-4-yl]oxyethanol
PubChem CID82011421
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[1-(5-aminoquinolin-6-yl)piperidin-4-yl]oxyethanol
SMILESNc1c(N2CCC(OCCO)CC2)ccc2ncccc12
InChIInChI=1S/C16H21N3O2/c17-16-13-2-1-7-18-14(13)3-4-15(16)19-8-5-12(6-9-19)21-11-10-20/h1-4,7,12,20H,5-6,8-11,17H2
InChIKeyIHVJAOIRJYFGHP-UHFFFAOYSA-N
XLogP1.79
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-aminoquinolin-6-yl)piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-(5-aminoquinolin-6-yl)piperidin-4-yl]oxyethanol (CID 82011421) is 2-[1-(5-aminoquinolin-6-yl)piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-(5-aminoquinolin-6-yl)piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-(5-aminoquinolin-6-yl)piperidin-4-yl]oxyethanol is Nc1c(N2CCC(OCCO)CC2)ccc2ncccc12.
What is the InChIKey of 2-[1-(5-aminoquinolin-6-yl)piperidin-4-yl]oxyethanol?
The InChIKey is IHVJAOIRJYFGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c17-16-13-2-1-7-18-14(13)3-4-15(16)19-8-5-12(6-9-19)21-11-10-20/h1-4,7,12,20H,5-6,8-11,17H2.
What are the key properties of 2-[1-(5-aminoquinolin-6-yl)piperidin-4-yl]oxyethanol?
2-[1-(5-aminoquinolin-6-yl)piperidin-4-yl]oxyethanol has a molecular weight of 287.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-aminoquinolin-6-yl)piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82011421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).