1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone

C18H26N2O3 — CID 90640723

IUPAC1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone
SMILESO=C(COc1ccnc2c1CCCC2)N1CCCCC1CCO
InChIInChI=1S/C18H26N2O3/c21-12-9-14-5-3-4-11-20(14)18(22)13-23-17-8-10-19-16-7-2-1-6-15(16)17/h8,10,14,21H,1-7,9,11-13H2
InChIKeyVZSASQYQGMUFSA-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.10
Rot. Bonds5

About 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone

1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone (PubChem CID 90640723) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone
PubChem CID90640723
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone
SMILESO=C(COc1ccnc2c1CCCC2)N1CCCCC1CCO
InChIInChI=1S/C18H26N2O3/c21-12-9-14-5-3-4-11-20(14)18(22)13-23-17-8-10-19-16-7-2-1-6-15(16)17/h8,10,14,21H,1-7,9,11-13H2
InChIKeyVZSASQYQGMUFSA-UHFFFAOYSA-N
XLogP2.10
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone with MolForge

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Related Compounds

1-(2-ethylpiperidin-1-yl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone
CID 90640716
2-(4-chloro-3-methylphenoxy)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 60741845
1-(2-ethylpiperidin-1-yl)-2-(2-methylphenoxy)ethanone
CID 112977253
[2-(2-hydroxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 84580383
1-[2-(hydroxymethyl)azepan-1-yl]-2-(2-methylphenoxy)ethanone
CID 116636020
3-(4-fluorophenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 60743171
2-(2,4-dimethylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 112977889
2-(4-ethoxyphenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 60742792
2-(2,4-dimethylphenoxy)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43421409
[2-(2-hydroxyethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 62166096
2-(2,4-dimethylphenoxy)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116636107
[2-(2-hydroxyethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 60742117

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone?
The IUPAC name of 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone (CID 90640723) is 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone?
The canonical SMILES for 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone is O=C(COc1ccnc2c1CCCC2)N1CCCCC1CCO.
What is the InChIKey of 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone?
The InChIKey is VZSASQYQGMUFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-12-9-14-5-3-4-11-20(14)18(22)13-23-17-8-10-19-16-7-2-1-6-15(16)17/h8,10,14,21H,1-7,9,11-13H2.
What are the key properties of 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone?
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone has a molecular weight of 318.42 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone is sourced from PubChem (CID 90640723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).