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

C19H23FN2O3 — CID 126573699

IUPACtert-butyl (3R)-3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](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/t14-/m1/s1
InChIKeyQTHZCRWAMJSIRV-CQSZACIVSA-N
MW346.40 g/mol
LogP4.15
Rot. Bonds2

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

tert-butyl (3R)-3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate (PubChem CID 126573699) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is tert-butyl (3R)-3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate
PubChem CID126573699
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Nametert-butyl (3R)-3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](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/t14-/m1/s1
InChIKeyQTHZCRWAMJSIRV-CQSZACIVSA-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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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate (CID 126573699) is tert-butyl (3R)-3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](Oc2ccnc3ccc(F)cc23)C1.
What is the InChIKey of tert-butyl (3R)-3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate?
The InChIKey is QTHZCRWAMJSIRV-CQSZACIVSA-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/t14-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate?
tert-butyl (3R)-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 (3R)-3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate is sourced from PubChem (CID 126573699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).