tert-butyl 3-trimethylstannylspiro[indene-1,4'-piperidine]-1'-carboxylate

C21H31NO2Sn — CID 70343549

IUPACtert-butyl 3-trimethylstannylspiro[indene-1,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(C=C([Sn](C)(C)C)c3ccccc32)CC1
InChIInChI=1S/C18H22NO2.3CH3.Sn/c1-17(2,3)21-16(20)19-12-10-18(11-13-19)9-8-14-6-4-5-7-15(14)18;;;;/h4-7,9H,10-13H2,1-3H3;3*1H3;
InChIKeyAERLQCFPZMLGTP-UHFFFAOYSA-N
MW448.20 g/mol
LogP5.23
Rot. Bonds1

About tert-butyl 3-trimethylstannylspiro[indene-1,4'-piperidine]-1'-carboxylate

tert-butyl 3-trimethylstannylspiro[indene-1,4'-piperidine]-1'-carboxylate (PubChem CID 70343549) has the molecular formula C21H31NO2Sn and a molecular weight of 448.20 g/mol. Its IUPAC name is tert-butyl 3-trimethylstannylspiro[indene-1,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-trimethylstannylspiro[indene-1,4'-piperidine]-1'-carboxylate
PubChem CID70343549
Molecular FormulaC21H31NO2Sn
Molecular Weight448.20 g/mol
Exact Mass449.14
IUPAC Nametert-butyl 3-trimethylstannylspiro[indene-1,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(C=C([Sn](C)(C)C)c3ccccc32)CC1
InChIInChI=1S/C18H22NO2.3CH3.Sn/c1-17(2,3)21-16(20)19-12-10-18(11-13-19)9-8-14-6-4-5-7-15(14)18;;;;/h4-7,9H,10-13H2,1-3H3;3*1H3;
InChIKeyAERLQCFPZMLGTP-UHFFFAOYSA-N
XLogP5.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.20
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 3-cyanospiro[indene-1,4'-piperidine]-1'-carboxylate
CID 70344591
tert-butyl 3-(pentan-3-ylcarbamoyl)spiro[indene-1,4'-piperidine]-1'-carboxylate
CID 59600632
tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate
CID 146553615
tert-butyl 4-fluoro-4-(2-fluorophenyl)piperidine-1-carboxylate
CID 67059992
4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 45074519
tert-butyl 1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 18673576
tert-butyl 5-hydroxyspiro[benzo[c]fluorene-7,4'-piperidine]-1'-carboxylate
CID 20721538
tert-butyl 4-acetyl-4-pyridin-2-ylpiperidine-1-carboxylate
CID 67465657
tert-butyl 4-phenyl-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate
CID 22741767
tert-butyl 4-[3-(pentan-3-ylcarbamoyl)spiro[indene-1,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 68681436
tert-butyl 4-iodo-4-phenoxypiperidine-1-carboxylate
CID 121429990
tert-butyl 4-phenyl-4-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 67422951

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-trimethylstannylspiro[indene-1,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 3-trimethylstannylspiro[indene-1,4'-piperidine]-1'-carboxylate (CID 70343549) is tert-butyl 3-trimethylstannylspiro[indene-1,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 3-trimethylstannylspiro[indene-1,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 3-trimethylstannylspiro[indene-1,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(C=C([Sn](C)(C)C)c3ccccc32)CC1.
What is the InChIKey of tert-butyl 3-trimethylstannylspiro[indene-1,4'-piperidine]-1'-carboxylate?
The InChIKey is AERLQCFPZMLGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22NO2.3CH3.Sn/c1-17(2,3)21-16(20)19-12-10-18(11-13-19)9-8-14-6-4-5-7-15(14)18;;;;/h4-7,9H,10-13H2,1-3H3;3*1H3;.
What are the key properties of tert-butyl 3-trimethylstannylspiro[indene-1,4'-piperidine]-1'-carboxylate?
tert-butyl 3-trimethylstannylspiro[indene-1,4'-piperidine]-1'-carboxylate has a molecular weight of 448.20 g/mol, XLogP of 5.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-trimethylstannylspiro[indene-1,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 70343549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).