tert-butyl (3R)-spiro[2,4-dihydro-1H-quinoline-3,3'-piperidine]-1'-carboxylate

C18H26N2O2 — CID 86334393

IUPACtert-butyl (3R)-spiro[2,4-dihydro-1H-quinoline-3,3'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@]2(CNc3ccccc3C2)C1
InChIInChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)20-10-6-9-18(13-20)11-14-7-4-5-8-15(14)19-12-18/h4-5,7-8,19H,6,9-13H2,1-3H3/t18-/m1/s1
InChIKeyLKIXZLHWNLXFAO-GOSISDBHSA-N
MW302.42 g/mol
LogP3.67
Rot. Bonds

About tert-butyl (3R)-spiro[2,4-dihydro-1H-quinoline-3,3'-piperidine]-1'-carboxylate

tert-butyl (3R)-spiro[2,4-dihydro-1H-quinoline-3,3'-piperidine]-1'-carboxylate (PubChem CID 86334393) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is tert-butyl (3R)-spiro[2,4-dihydro-1H-quinoline-3,3'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-spiro[2,4-dihydro-1H-quinoline-3,3'-piperidine]-1'-carboxylate
PubChem CID86334393
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Nametert-butyl (3R)-spiro[2,4-dihydro-1H-quinoline-3,3'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@]2(CNc3ccccc3C2)C1
InChIInChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)20-10-6-9-18(13-20)11-14-7-4-5-8-15(14)19-12-18/h4-5,7-8,19H,6,9-13H2,1-3H3/t18-/m1/s1
InChIKeyLKIXZLHWNLXFAO-GOSISDBHSA-N
XLogP3.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S)-2-oxospiro[1,4-dihydroquinoline-3,3'-piperidine]-1'-carboxylate
CID 86318513
tert-butyl spiro[1,2-dihydroindole-3,3'-piperidine]-1'-carboxylate;ethane
CID 91303115
tert-butyl 7-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-piperidine]-1'-carboxylate
CID 66570818
tert-butyl 14-oxospiro[2,5-dioxa-8,13-diazabicyclo[13.4.0]nonadeca-1(19),15,17-triene-11,3'-piperidine]-1'-carboxylate
CID 175662624
tert-butyl (5R)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 86326943
tert-butyl 2-benzhydryl-2,9-diazaspiro[3.6]decane-9-carboxylate
CID 170772009
tert-butyl 9-benzyl-2,9-diazaspiro[4.6]undecane-2-carboxylate
CID 59818863
tert-butyl (3R)-3-benzyl-3-hydroxypiperidine-1-carboxylate
CID 97114215
tert-butyl 2-benzyl-2,8-diazaspiro[3.6]decane-8-carboxylate
CID 139877676
tert-butyl 4,4-dimethyl-3,5-dihydro-1H-2-benzazepine-2-carboxylate
CID 126754124
tert-butyl 8-(2-oxo-1H-quinoline-5-carbonyl)-2,8-diazaspiro[5.5]undecane-2-carboxylate
CID 171674250
tert-butyl 3-(N-hydroxyanilino)-3-methylpiperidine-1-carboxylate
CID 134853372

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-spiro[2,4-dihydro-1H-quinoline-3,3'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl (3R)-spiro[2,4-dihydro-1H-quinoline-3,3'-piperidine]-1'-carboxylate (CID 86334393) is tert-butyl (3R)-spiro[2,4-dihydro-1H-quinoline-3,3'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl (3R)-spiro[2,4-dihydro-1H-quinoline-3,3'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl (3R)-spiro[2,4-dihydro-1H-quinoline-3,3'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@]2(CNc3ccccc3C2)C1.
What is the InChIKey of tert-butyl (3R)-spiro[2,4-dihydro-1H-quinoline-3,3'-piperidine]-1'-carboxylate?
The InChIKey is LKIXZLHWNLXFAO-GOSISDBHSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)20-10-6-9-18(13-20)11-14-7-4-5-8-15(14)19-12-18/h4-5,7-8,19H,6,9-13H2,1-3H3/t18-/m1/s1.
What are the key properties of tert-butyl (3R)-spiro[2,4-dihydro-1H-quinoline-3,3'-piperidine]-1'-carboxylate?
tert-butyl (3R)-spiro[2,4-dihydro-1H-quinoline-3,3'-piperidine]-1'-carboxylate has a molecular weight of 302.42 g/mol, XLogP of 3.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-spiro[2,4-dihydro-1H-quinoline-3,3'-piperidine]-1'-carboxylate is sourced from PubChem (CID 86334393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).