2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone

C16H22N2O2 — CID 114337628

IUPAC2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone
SMILESO=C(CN1CCC(O)c2ccccc21)N1CCCCC1
InChIInChI=1S/C16H22N2O2/c19-15-8-11-18(14-7-3-2-6-13(14)15)12-16(20)17-9-4-1-5-10-17/h2-3,6-7,15,19H,1,4-5,8-12H2
InChIKeyFNTGHMQANQNZLW-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.94
Rot. Bonds2

About 2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone

2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone (PubChem CID 114337628) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone
PubChem CID114337628
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone
SMILESO=C(CN1CCC(O)c2ccccc21)N1CCCCC1
InChIInChI=1S/C16H22N2O2/c19-15-8-11-18(14-7-3-2-6-13(14)15)12-16(20)17-9-4-1-5-10-17/h2-3,6-7,15,19H,1,4-5,8-12H2
InChIKeyFNTGHMQANQNZLW-UHFFFAOYSA-N
XLogP1.94
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone 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-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone (CID 114337628) is 2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone is O=C(CN1CCC(O)c2ccccc21)N1CCCCC1.
What is the InChIKey of 2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone?
The InChIKey is FNTGHMQANQNZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-15-8-11-18(14-7-3-2-6-13(14)15)12-16(20)17-9-4-1-5-10-17/h2-3,6-7,15,19H,1,4-5,8-12H2.
What are the key properties of 2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone?
2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone has a molecular weight of 274.36 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 114337628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).