tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate

C17H23NO2 — CID 146553615

IUPACtert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccccc12
InChIInChI=1S/C17H23NO2/c1-16(2,3)20-15(19)18-10-8-17(9-11-18)12-13-6-4-5-7-14(13)17/h4-7H,8-12H2,1-3H3
InChIKeyTZZWOAUHOGAIIQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.51
Rot. Bonds

About tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate

tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate (PubChem CID 146553615) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate
PubChem CID146553615
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Nametert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccccc12
InChIInChI=1S/C17H23NO2/c1-16(2,3)20-15(19)18-10-8-17(9-11-18)12-13-6-4-5-7-14(13)17/h4-7H,8-12H2,1-3H3
InChIKeyTZZWOAUHOGAIIQ-UHFFFAOYSA-N
XLogP3.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 4-bromo-3-oxospiro[1H-indene-2,4'-piperidine]-1'-carboxylate
CID 155401145
tert-butyl 1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 18673576
tert-butyl (3Z)-3-methylsulfinyliminospiro[1H-indene-2,4'-piperidine]-1'-carboxylate
CID 169304975
tert-butyl (1R)-1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride
CID 70149448
tert-butyl 4-fluoro-4-(2-fluorophenyl)piperidine-1-carboxylate
CID 67059992
tert-butyl spiro[3H-1-benzofuran-2,4'-piperidine]-1'-carboxylate
CID 121418613
tert-butyl (1S)-1-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate
CID 166776803
tert-butyl (2E)-2-hydroxyiminospiro[1H-indene-3,4'-piperidine]-1'-carboxylate
CID 146482536
tert-butyl 7-oxospiro[6,8-dihydroquinoline-5,4'-piperidine]-1'-carboxylate
CID 176821528
tert-butyl 1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate
CID 154577354
1-amino-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[4H-naphthalene-3,3'-pyrrolidine]-2-carboxylic acid
CID 141387537
tert-butyl spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-(2-methoxyethyl)acetamide
CID 143786118

Frequently Asked Questions

What is the IUPAC name of tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate (CID 146553615) is tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccccc12.
What is the InChIKey of tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate?
The InChIKey is TZZWOAUHOGAIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-16(2,3)20-15(19)18-10-8-17(9-11-18)12-13-6-4-5-7-14(13)17/h4-7H,8-12H2,1-3H3.
What are the key properties of tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate?
tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate has a molecular weight of 273.38 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 146553615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).