1-ethoxy-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propan-1-ol

C19H25FN2O3 — CID 166682866

IUPAC1-ethoxy-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propan-1-ol
SMILESCCOC(O)C(C)N1CCC(Oc2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C19H25FN2O3/c1-3-24-19(23)13(2)22-10-7-15(8-11-22)25-18-6-9-21-17-5-4-14(20)12-16(17)18/h4-6,9,12-13,15,19,23H,3,7-8,10-11H2,1-2H3
InChIKeyPANDBQLEZXCCOX-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.96
Rot. Bonds6

About 1-ethoxy-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propan-1-ol

1-ethoxy-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propan-1-ol (PubChem CID 166682866) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-ethoxy-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-ethoxy-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propan-1-ol
PubChem CID166682866
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name1-ethoxy-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propan-1-ol
SMILESCCOC(O)C(C)N1CCC(Oc2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C19H25FN2O3/c1-3-24-19(23)13(2)22-10-7-15(8-11-22)25-18-6-9-21-17-5-4-14(20)12-16(17)18/h4-6,9,12-13,15,19,23H,3,7-8,10-11H2,1-2H3
InChIKeyPANDBQLEZXCCOX-UHFFFAOYSA-N
XLogP2.96
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(1S,3R,6R,7S)-3-(6-fluoroquinolin-4-yl)oxy-7-bicyclo[4.1.0]heptanyl]ethanone
CID 156541889
tert-butyl 3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate
CID 126573698
4-(6-fluoroquinolin-4-yl)oxy-N-[4-[(E)-3-methoxyprop-1-enyl]phenyl]piperidine-1-carboxamide
CID 163576137
6-methoxy-4-(1-methylpyrrolidin-3-yl)oxyquinoline
CID 126953937
6-fluoro-4-[[(1R,5S)-6-[(Z)-1-methoxyprop-1-en-2-yl]-3-bicyclo[3.1.0]hexanyl]oxy]quinoline
CID 146318432
[1-(6-fluoroquinolin-4-yl)piperidin-4-yl] butanoate
CID 175115794
2-[6-[(6-fluoroquinolin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]propanal
CID 166682872
2-[4-(6-fluoroquinolin-4-yl)oxy-2-methylcyclopentyl]-N-(5-methyl-2-pyridinyl)propanamide
CID 153395535
4-(6-iodoquinolin-4-yl)oxypiperidine-1-carboxylic acid
CID 69468516
N-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methylcyclopentyl]butanamide
CID 153395566
4-(4-propan-2-ylcyclohexyl)oxyquinoline
CID 155416383
N-(6-cyclopropyl-3-pyridinyl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide
CID 146318421

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propan-1-ol?
The IUPAC name of 1-ethoxy-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propan-1-ol (CID 166682866) is 1-ethoxy-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propan-1-ol.
What is the SMILES notation for 1-ethoxy-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propan-1-ol?
The canonical SMILES for 1-ethoxy-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propan-1-ol is CCOC(O)C(C)N1CCC(Oc2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of 1-ethoxy-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propan-1-ol?
The InChIKey is PANDBQLEZXCCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-3-24-19(23)13(2)22-10-7-15(8-11-22)25-18-6-9-21-17-5-4-14(20)12-16(17)18/h4-6,9,12-13,15,19,23H,3,7-8,10-11H2,1-2H3.
What are the key properties of 1-ethoxy-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propan-1-ol?
1-ethoxy-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propan-1-ol has a molecular weight of 348.42 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propan-1-ol is sourced from PubChem (CID 166682866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).