2-(1-isoquinolin-1-ylpiperidin-4-yl)oxyethanol

C16H20N2O2 — CID 82691067

IUPAC2-(1-isoquinolin-1-ylpiperidin-4-yl)oxyethanol
SMILESOCCOC1CCN(c2nccc3ccccc23)CC1
InChIInChI=1S/C16H20N2O2/c19-11-12-20-14-6-9-18(10-7-14)16-15-4-2-1-3-13(15)5-8-17-16/h1-5,8,14,19H,6-7,9-12H2
InChIKeyHNZNFDIXYBJXPT-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.21
Rot. Bonds4

About 2-(1-isoquinolin-1-ylpiperidin-4-yl)oxyethanol

2-(1-isoquinolin-1-ylpiperidin-4-yl)oxyethanol (PubChem CID 82691067) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(1-isoquinolin-1-ylpiperidin-4-yl)oxyethanol.

Molecular Properties

Compound Name2-(1-isoquinolin-1-ylpiperidin-4-yl)oxyethanol
PubChem CID82691067
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(1-isoquinolin-1-ylpiperidin-4-yl)oxyethanol
SMILESOCCOC1CCN(c2nccc3ccccc23)CC1
InChIInChI=1S/C16H20N2O2/c19-11-12-20-14-6-9-18(10-7-14)16-15-4-2-1-3-13(15)5-8-17-16/h1-5,8,14,19H,6-7,9-12H2
InChIKeyHNZNFDIXYBJXPT-UHFFFAOYSA-N
XLogP2.21
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-isoquinolin-1-ylpiperidin-4-yl)oxyethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-isoquinolin-1-ylpiperidin-4-yl)oxyethanol?
The IUPAC name of 2-(1-isoquinolin-1-ylpiperidin-4-yl)oxyethanol (CID 82691067) is 2-(1-isoquinolin-1-ylpiperidin-4-yl)oxyethanol.
What is the SMILES notation for 2-(1-isoquinolin-1-ylpiperidin-4-yl)oxyethanol?
The canonical SMILES for 2-(1-isoquinolin-1-ylpiperidin-4-yl)oxyethanol is OCCOC1CCN(c2nccc3ccccc23)CC1.
What is the InChIKey of 2-(1-isoquinolin-1-ylpiperidin-4-yl)oxyethanol?
The InChIKey is HNZNFDIXYBJXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-11-12-20-14-6-9-18(10-7-14)16-15-4-2-1-3-13(15)5-8-17-16/h1-5,8,14,19H,6-7,9-12H2.
What are the key properties of 2-(1-isoquinolin-1-ylpiperidin-4-yl)oxyethanol?
2-(1-isoquinolin-1-ylpiperidin-4-yl)oxyethanol has a molecular weight of 272.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-isoquinolin-1-ylpiperidin-4-yl)oxyethanol is sourced from PubChem (CID 82691067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).