tert-butyl (2S,6R)-2-methyl-6-[(E)-2-tributylstannylethenyl]piperidine-1-carboxylate

C25H49NO2Sn — CID 11214460

IUPACtert-butyl (2S,6R)-2-methyl-6-[(E)-2-tributylstannylethenyl]piperidine-1-carboxylate
SMILESCCCC[Sn](/C=C/[C@H]1CCC[C@H](C)N1C(=O)OC(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C13H22NO2.3C4H9.Sn/c1-6-11-9-7-8-10(2)14(11)12(15)16-13(3,4)5;3*1-3-4-2;/h1,6,10-11H,7-9H2,2-5H3;3*1,3-4H2,2H3;/t10-,11-;;;;/m0..../s1
InChIKeyUCPBAKWRBAJJKN-QHNPOSSJSA-N
MW514.38 g/mol
LogP8.11
Rot. Bonds11

About tert-butyl (2S,6R)-2-methyl-6-[(E)-2-tributylstannylethenyl]piperidine-1-carboxylate

tert-butyl (2S,6R)-2-methyl-6-[(E)-2-tributylstannylethenyl]piperidine-1-carboxylate (PubChem CID 11214460) has the molecular formula C25H49NO2Sn and a molecular weight of 514.38 g/mol. Its IUPAC name is tert-butyl (2S,6R)-2-methyl-6-[(E)-2-tributylstannylethenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,6R)-2-methyl-6-[(E)-2-tributylstannylethenyl]piperidine-1-carboxylate
PubChem CID11214460
Molecular FormulaC25H49NO2Sn
Molecular Weight514.38 g/mol
Exact Mass515.28
IUPAC Nametert-butyl (2S,6R)-2-methyl-6-[(E)-2-tributylstannylethenyl]piperidine-1-carboxylate
SMILESCCCC[Sn](/C=C/[C@H]1CCC[C@H](C)N1C(=O)OC(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C13H22NO2.3C4H9.Sn/c1-6-11-9-7-8-10(2)14(11)12(15)16-13(3,4)5;3*1-3-4-2;/h1,6,10-11H,7-9H2,2-5H3;3*1,3-4H2,2H3;/t10-,11-;;;;/m0..../s1
InChIKeyUCPBAKWRBAJJKN-QHNPOSSJSA-N
XLogP8.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.38
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,6R)-2-methyl-6-[(E)-2-tributylstannylethenyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,6R)-2-methyl-6-[(E)-2-tributylstannylethenyl]piperidine-1-carboxylate (CID 11214460) is tert-butyl (2S,6R)-2-methyl-6-[(E)-2-tributylstannylethenyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,6R)-2-methyl-6-[(E)-2-tributylstannylethenyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,6R)-2-methyl-6-[(E)-2-tributylstannylethenyl]piperidine-1-carboxylate is CCCC[Sn](/C=C/[C@H]1CCC[C@H](C)N1C(=O)OC(C)(C)C)(CCCC)CCCC.
What is the InChIKey of tert-butyl (2S,6R)-2-methyl-6-[(E)-2-tributylstannylethenyl]piperidine-1-carboxylate?
The InChIKey is UCPBAKWRBAJJKN-QHNPOSSJSA-N. The full InChI is InChI=1S/C13H22NO2.3C4H9.Sn/c1-6-11-9-7-8-10(2)14(11)12(15)16-13(3,4)5;3*1-3-4-2;/h1,6,10-11H,7-9H2,2-5H3;3*1,3-4H2,2H3;/t10-,11-;;;;/m0..../s1.
What are the key properties of tert-butyl (2S,6R)-2-methyl-6-[(E)-2-tributylstannylethenyl]piperidine-1-carboxylate?
tert-butyl (2S,6R)-2-methyl-6-[(E)-2-tributylstannylethenyl]piperidine-1-carboxylate has a molecular weight of 514.38 g/mol, XLogP of 8.11, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,6R)-2-methyl-6-[(E)-2-tributylstannylethenyl]piperidine-1-carboxylate is sourced from PubChem (CID 11214460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).