tert-butyl (2R)-2-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate

C19H23FN2O3 — CID 126573658

IUPACtert-butyl (2R)-2-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1Oc1ccnc2ccc(F)cc12
InChIInChI=1S/C19H23FN2O3/c1-19(2,3)25-18(23)22-11-5-4-6-17(22)24-16-9-10-21-15-8-7-13(20)12-14(15)16/h7-10,12,17H,4-6,11H2,1-3H3/t17-/m1/s1
InChIKeyARALGNJYLYMGIR-QGZVFWFLSA-N
MW346.40 g/mol
LogP4.50
Rot. Bonds2

About tert-butyl (2R)-2-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate

tert-butyl (2R)-2-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate (PubChem CID 126573658) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is tert-butyl (2R)-2-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate
PubChem CID126573658
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Nametert-butyl (2R)-2-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1Oc1ccnc2ccc(F)cc12
InChIInChI=1S/C19H23FN2O3/c1-19(2,3)25-18(23)22-11-5-4-6-17(22)24-16-9-10-21-15-8-7-13(20)12-14(15)16/h7-10,12,17H,4-6,11H2,1-3H3/t17-/m1/s1
InChIKeyARALGNJYLYMGIR-QGZVFWFLSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-Benzyloxyquinoline
CID 3035604
4-Methoxyquinoline
CID 521938
7-Methoxy-3-pyridin-4-yl-quinoline
CID 11776270
3-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-quinoline
CID 44372369
Quinolin-8-yl piperidine-1-carboxylate
CID 713309
7-Fluoro-5-[(1-propylpiperidin-4-yl)methoxy]benzo[h][1,6]naphthyridine
CID 71455625
7-Fluoro-5-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine
CID 72698087
7-Fluoro-5-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine
CID 72698088
4-(4-Phenoxybutoxy)quinoline
CID 42631043
3-(7-(4-(Dimethylamino)phenyl)-1,6-naphthyridin-5-yloxy)propan-1-ol
CID 10236713
Methyl-o-tolyl-carbamic acid 4-(trifluoromethylpyridin-2-yloxy)-phenyl ester
CID 23635515
5-(7-chloroquinolin-4-yl)oxy-N,N-diethylpentan-1-amine
CID 24881538

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate (CID 126573658) is tert-butyl (2R)-2-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@H]1Oc1ccnc2ccc(F)cc12.
What is the InChIKey of tert-butyl (2R)-2-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate?
The InChIKey is ARALGNJYLYMGIR-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-19(2,3)25-18(23)22-11-5-4-6-17(22)24-16-9-10-21-15-8-7-13(20)12-14(15)16/h7-10,12,17H,4-6,11H2,1-3H3/t17-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate?
tert-butyl (2R)-2-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate has a molecular weight of 346.40 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate is sourced from PubChem (CID 126573658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).