tert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate

C19H24N2O2 — CID 102136032

IUPACtert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cnc3ccccc3c2)CC1
InChIInChI=1S/C19H24N2O2/c1-19(2,3)23-18(22)21-10-8-14(9-11-21)16-12-15-6-4-5-7-17(15)20-13-16/h4-7,12-14H,8-11H2,1-3H3
InChIKeyFZCOZNUQCMZIHV-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.35
Rot. Bonds1

About tert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate

tert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate (PubChem CID 102136032) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is tert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate
PubChem CID102136032
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Nametert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cnc3ccccc3c2)CC1
InChIInChI=1S/C19H24N2O2/c1-19(2,3)23-18(22)21-10-8-14(9-11-21)16-12-15-6-4-5-7-17(15)20-13-16/h4-7,12-14H,8-11H2,1-3H3
InChIKeyFZCOZNUQCMZIHV-UHFFFAOYSA-N
XLogP4.35
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(quinolin-3-ylamino)piperidine-1-carboxylate
CID 67196651
tert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;ethane
CID 144686665
tert-butyl 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]piperidine-1-carboxylate
CID 138973947
tert-butyl 4-(2-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate
CID 164662482
tert-butyl 4-quinoxalin-2-ylsulfanylpiperidine-1-carboxylate
CID 71303203
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-(5-iodo-3-pyridinyl)piperidine-1-carboxylate
CID 91663948
tert-butyl 3-hydroxy-3-quinolin-3-ylazetidine-1-carboxylate
CID 103695996
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-2-carboxylic acid
CID 74788423
tert-butyl 4-[6-formyl-5-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate
CID 166078752
tert-butyl (3R)-3-[methyl(quinoxalin-2-yl)amino]pyrrolidine-1-carboxylate
CID 71646691
tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)piperidine-1-carboxylate
CID 144544784

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate (CID 102136032) is tert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cnc3ccccc3c2)CC1.
What is the InChIKey of tert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate?
The InChIKey is FZCOZNUQCMZIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-19(2,3)23-18(22)21-10-8-14(9-11-21)16-12-15-6-4-5-7-17(15)20-13-16/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of tert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate?
tert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate has a molecular weight of 312.41 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate is sourced from PubChem (CID 102136032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).