tert-butyl 3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate

C19H23FN2O3 — CID 126573698

IUPACtert-butyl 3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Oc2ccnc3ccc(F)cc23)C1
InChIInChI=1S/C19H23FN2O3/c1-19(2,3)25-18(23)22-10-4-5-14(12-22)24-17-8-9-21-16-7-6-13(20)11-15(16)17/h6-9,11,14H,4-5,10,12H2,1-3H3
InChIKeyQTHZCRWAMJSIRV-UHFFFAOYSA-N
MW346.40 g/mol
LogP4.15
Rot. Bonds2

About tert-butyl 3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate

tert-butyl 3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate (PubChem CID 126573698) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is tert-butyl 3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate
PubChem CID126573698
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Nametert-butyl 3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Oc2ccnc3ccc(F)cc23)C1
InChIInChI=1S/C19H23FN2O3/c1-19(2,3)25-18(23)22-10-4-5-14(12-22)24-17-8-9-21-16-7-6-13(20)11-15(16)17/h6-9,11,14H,4-5,10,12H2,1-3H3
InChIKeyQTHZCRWAMJSIRV-UHFFFAOYSA-N
XLogP4.15
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyquinoline-7-carboxylic acid
CID 126573691
tert-butyl 3-(7-formyl-6-hydroxyquinolin-4-yl)oxypiperidine-1-carboxylate
CID 126598466
tert-butyl 3-[(6-fluoroquinolin-4-yl)amino]pyrrolidine-1-carboxylate
CID 175301027
tert-butyl 4-(6-methylquinolin-4-yl)oxypiperidine-1-carboxylate
CID 143199953
tert-butyl 3-(5-fluoro-2-piperazin-1-ylphenoxy)piperidine-1-carboxylate
CID 58817428
tert-butyl (3R)-3-[[4-(difluoromethoxy)-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 144697957
tert-butyl 4-(6-fluoroquinolin-4-yl)piperazine-1-carboxylate
CID 121318185
tert-butyl (3R)-3-[(3-hydroxy-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71630690
tert-butyl (3S)-3-(2-bromophenoxy)piperidine-1-carboxylate
CID 69433067
tert-butyl (3S)-3-[4-(7-fluoroquinolin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylate;sulfane
CID 167584254
tert-butyl 3-isoquinolin-1-yloxypiperidine-1-carboxylate
CID 118114502
tert-butyl (3R)-3-pyridin-2-yloxypiperidine-1-carboxylate
CID 71630688

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate (CID 126573698) is tert-butyl 3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(Oc2ccnc3ccc(F)cc23)C1.
What is the InChIKey of tert-butyl 3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate?
The InChIKey is QTHZCRWAMJSIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-19(2,3)25-18(23)22-10-4-5-14(12-22)24-17-8-9-21-16-7-6-13(20)11-15(16)17/h6-9,11,14H,4-5,10,12H2,1-3H3.
What are the key properties of tert-butyl 3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate?
tert-butyl 3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate has a molecular weight of 346.40 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate is sourced from PubChem (CID 126573698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).