1-(5-aminoquinolin-8-yl)piperidin-3-ol

C14H17N3O — CID 43502893

IUPAC1-(5-aminoquinolin-8-yl)piperidin-3-ol
SMILESNc1ccc(N2CCCC(O)C2)c2ncccc12
InChIInChI=1S/C14H17N3O/c15-12-5-6-13(14-11(12)4-1-7-16-14)17-8-2-3-10(18)9-17/h1,4-7,10,18H,2-3,8-9,15H2
InChIKeyGTQIUSHOUMMNSO-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.78
Rot. Bonds1

About 1-(5-aminoquinolin-8-yl)piperidin-3-ol

1-(5-aminoquinolin-8-yl)piperidin-3-ol (PubChem CID 43502893) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(5-aminoquinolin-8-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-(5-aminoquinolin-8-yl)piperidin-3-ol
PubChem CID43502893
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(5-aminoquinolin-8-yl)piperidin-3-ol
SMILESNc1ccc(N2CCCC(O)C2)c2ncccc12
InChIInChI=1S/C14H17N3O/c15-12-5-6-13(14-11(12)4-1-7-16-14)17-8-2-3-10(18)9-17/h1,4-7,10,18H,2-3,8-9,15H2
InChIKeyGTQIUSHOUMMNSO-UHFFFAOYSA-N
XLogP1.78
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-aminoquinolin-8-yl)piperidin-3-ol?
The IUPAC name of 1-(5-aminoquinolin-8-yl)piperidin-3-ol (CID 43502893) is 1-(5-aminoquinolin-8-yl)piperidin-3-ol.
What is the SMILES notation for 1-(5-aminoquinolin-8-yl)piperidin-3-ol?
The canonical SMILES for 1-(5-aminoquinolin-8-yl)piperidin-3-ol is Nc1ccc(N2CCCC(O)C2)c2ncccc12.
What is the InChIKey of 1-(5-aminoquinolin-8-yl)piperidin-3-ol?
The InChIKey is GTQIUSHOUMMNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-12-5-6-13(14-11(12)4-1-7-16-14)17-8-2-3-10(18)9-17/h1,4-7,10,18H,2-3,8-9,15H2.
What are the key properties of 1-(5-aminoquinolin-8-yl)piperidin-3-ol?
1-(5-aminoquinolin-8-yl)piperidin-3-ol has a molecular weight of 243.31 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-aminoquinolin-8-yl)piperidin-3-ol is sourced from PubChem (CID 43502893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).