2-[1-[2-(hydroxymethyl)quinolin-4-yl]piperidin-3-yl]ethanol

C17H22N2O2 — CID 107228565

IUPAC2-[1-[2-(hydroxymethyl)quinolin-4-yl]piperidin-3-yl]ethanol
SMILESOCCC1CCCN(c2cc(CO)nc3ccccc23)C1
InChIInChI=1S/C17H22N2O2/c20-9-7-13-4-3-8-19(11-13)17-10-14(12-21)18-16-6-2-1-5-15(16)17/h1-2,5-6,10,13,20-21H,3-4,7-9,11-12H2
InChIKeyUKLJNVSFXQAMHU-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.33
Rot. Bonds4

About 2-[1-[2-(hydroxymethyl)quinolin-4-yl]piperidin-3-yl]ethanol

2-[1-[2-(hydroxymethyl)quinolin-4-yl]piperidin-3-yl]ethanol (PubChem CID 107228565) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[1-[2-(hydroxymethyl)quinolin-4-yl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(hydroxymethyl)quinolin-4-yl]piperidin-3-yl]ethanol
PubChem CID107228565
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-[1-[2-(hydroxymethyl)quinolin-4-yl]piperidin-3-yl]ethanol
SMILESOCCC1CCCN(c2cc(CO)nc3ccccc23)C1
InChIInChI=1S/C17H22N2O2/c20-9-7-13-4-3-8-19(11-13)17-10-14(12-21)18-16-6-2-1-5-15(16)17/h1-2,5-6,10,13,20-21H,3-4,7-9,11-12H2
InChIKeyUKLJNVSFXQAMHU-UHFFFAOYSA-N
XLogP2.33
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[2-(hydroxymethyl)quinolin-4-yl]piperidin-3-yl]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

[4-[3-(methoxymethyl)pyrrolidin-1-yl]quinolin-2-yl]methanol
CID 64598867
2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228577
4-[[1-(2-propylquinolin-4-yl)piperidin-3-yl]methyl]morpholine
CID 133401776
[1-[4-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]methanol
CID 61252810
4-(3-ethylpiperidin-1-yl)-2-phenylquinoline
CID 90687074
2-[1-[3-(aminomethyl)quinolin-4-yl]piperidin-3-yl]ethanol
CID 107227097
[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)quinolin-2-yl]methanol
CID 82753365
[4-(3,4-dimethylpiperazin-1-yl)quinolin-2-yl]methanamine
CID 63620935
N,N-dimethyl-1-(2-propylquinolin-4-yl)piperidine-3-carboxamide
CID 133405148
2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-3-yl]ethanol
CID 107227924
2-[1-[(4-aminoquinazolin-2-yl)methyl]piperidin-3-yl]ethanol
CID 62358015
1-[4-(azepan-1-yl)quinolin-2-yl]-N-methylmethanamine
CID 63374160

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(hydroxymethyl)quinolin-4-yl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[2-(hydroxymethyl)quinolin-4-yl]piperidin-3-yl]ethanol (CID 107228565) is 2-[1-[2-(hydroxymethyl)quinolin-4-yl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(hydroxymethyl)quinolin-4-yl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[2-(hydroxymethyl)quinolin-4-yl]piperidin-3-yl]ethanol is OCCC1CCCN(c2cc(CO)nc3ccccc23)C1.
What is the InChIKey of 2-[1-[2-(hydroxymethyl)quinolin-4-yl]piperidin-3-yl]ethanol?
The InChIKey is UKLJNVSFXQAMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-9-7-13-4-3-8-19(11-13)17-10-14(12-21)18-16-6-2-1-5-15(16)17/h1-2,5-6,10,13,20-21H,3-4,7-9,11-12H2.
What are the key properties of 2-[1-[2-(hydroxymethyl)quinolin-4-yl]piperidin-3-yl]ethanol?
2-[1-[2-(hydroxymethyl)quinolin-4-yl]piperidin-3-yl]ethanol has a molecular weight of 286.38 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(hydroxymethyl)quinolin-4-yl]piperidin-3-yl]ethanol is sourced from PubChem (CID 107228565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).