2-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]oxyethanol

C17H22N2O3 — CID 75421713

IUPAC2-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]oxyethanol
SMILESOCCOC1CCCN(c2nc3ccccc3cc2CO)C1
InChIInChI=1S/C17H22N2O3/c20-8-9-22-15-5-3-7-19(11-15)17-14(12-21)10-13-4-1-2-6-16(13)18-17/h1-2,4,6,10,15,20-21H,3,5,7-9,11-12H2
InChIKeyWQYZKKYFQLIWAB-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.70
Rot. Bonds5

About 2-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]oxyethanol

2-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]oxyethanol (PubChem CID 75421713) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]oxyethanol
PubChem CID75421713
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]oxyethanol
SMILESOCCOC1CCCN(c2nc3ccccc3cc2CO)C1
InChIInChI=1S/C17H22N2O3/c20-8-9-22-15-5-3-7-19(11-15)17-14(12-21)10-13-4-1-2-6-16(13)18-17/h1-2,4,6,10,15,20-21H,3,5,7-9,11-12H2
InChIKeyWQYZKKYFQLIWAB-UHFFFAOYSA-N
XLogP1.70
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]oxyethanol?
The IUPAC name of 2-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]oxyethanol (CID 75421713) is 2-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]oxyethanol.
What is the SMILES notation for 2-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]oxyethanol?
The canonical SMILES for 2-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]oxyethanol is OCCOC1CCCN(c2nc3ccccc3cc2CO)C1.
What is the InChIKey of 2-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]oxyethanol?
The InChIKey is WQYZKKYFQLIWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-8-9-22-15-5-3-7-19(11-15)17-14(12-21)10-13-4-1-2-6-16(13)18-17/h1-2,4,6,10,15,20-21H,3,5,7-9,11-12H2.
What are the key properties of 2-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]oxyethanol?
2-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]oxyethanol has a molecular weight of 302.37 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]oxyethanol is sourced from PubChem (CID 75421713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).