tert-butyl 4-(6-methylquinolin-4-yl)oxypiperidine-1-carboxylate

C20H26N2O3 — CID 143199953

IUPACtert-butyl 4-(6-methylquinolin-4-yl)oxypiperidine-1-carboxylate
SMILESCc1ccc2nccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2c1
InChIInChI=1S/C20H26N2O3/c1-14-5-6-17-16(13-14)18(7-10-21-17)24-15-8-11-22(12-9-15)19(23)25-20(2,3)4/h5-7,10,13,15H,8-9,11-12H2,1-4H3
InChIKeyAZRIHIQGBCZKLR-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.32
Rot. Bonds2

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

tert-butyl 4-(6-methylquinolin-4-yl)oxypiperidine-1-carboxylate (PubChem CID 143199953) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is tert-butyl 4-(6-methylquinolin-4-yl)oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-methylquinolin-4-yl)oxypiperidine-1-carboxylate
PubChem CID143199953
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Nametert-butyl 4-(6-methylquinolin-4-yl)oxypiperidine-1-carboxylate
SMILESCc1ccc2nccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2c1
InChIInChI=1S/C20H26N2O3/c1-14-5-6-17-16(13-14)18(7-10-21-17)24-15-8-11-22(12-9-15)19(23)25-20(2,3)4/h5-7,10,13,15H,8-9,11-12H2,1-4H3
InChIKeyAZRIHIQGBCZKLR-UHFFFAOYSA-N
XLogP4.32
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-quinolin-5-yloxypiperidine-1-carboxylate
CID 170614892
tert-butyl 4-(2-bromo-4-methylphenoxy)piperidine-1-carboxylate
CID 159393378
tert-butyl 3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate
CID 126573698
tert-butyl 3-(7-formyl-6-hydroxyquinolin-4-yl)oxypiperidine-1-carboxylate
CID 126598466
4-(6-iodoquinolin-4-yl)oxypiperidine-1-carboxylic acid
CID 69468516
tert-butyl 4-(5-methyl-2H-indazol-3-yl)piperidine-1-carboxylate
CID 167016405
6-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyquinoline-7-carboxylic acid
CID 126573691
3-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-4-carboxylic acid
CID 130406230
tert-butyl 4-(5-bromoisoquinolin-8-yl)oxypiperidine-1-carboxylate
CID 130367043
tert-butyl 4-(5-amino-2-chlorophenoxy)piperidine-1-carboxylate
CID 171833683
tert-butyl 4-[[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 124636303
tert-butyl 4-[(5-methyl-3-pyridinyl)oxy]piperidine-1-carboxylate
CID 145472944

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-methylquinolin-4-yl)oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-methylquinolin-4-yl)oxypiperidine-1-carboxylate (CID 143199953) is tert-butyl 4-(6-methylquinolin-4-yl)oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-methylquinolin-4-yl)oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-methylquinolin-4-yl)oxypiperidine-1-carboxylate is Cc1ccc2nccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2c1.
What is the InChIKey of tert-butyl 4-(6-methylquinolin-4-yl)oxypiperidine-1-carboxylate?
The InChIKey is AZRIHIQGBCZKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14-5-6-17-16(13-14)18(7-10-21-17)24-15-8-11-22(12-9-15)19(23)25-20(2,3)4/h5-7,10,13,15H,8-9,11-12H2,1-4H3.
What are the key properties of tert-butyl 4-(6-methylquinolin-4-yl)oxypiperidine-1-carboxylate?
tert-butyl 4-(6-methylquinolin-4-yl)oxypiperidine-1-carboxylate has a molecular weight of 342.44 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-methylquinolin-4-yl)oxypiperidine-1-carboxylate is sourced from PubChem (CID 143199953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).