methyl 2-piperidin-2-yl-2-(4-tributylstannylphenyl)acetate

C26H45NO2Sn — CID 10768332

IUPACmethyl 2-piperidin-2-yl-2-(4-tributylstannylphenyl)acetate
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(C(C(=O)OC)C2CCCCN2)cc1
InChIInChI=1S/C14H18NO2.3C4H9.Sn/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12;3*1-3-4-2;/h3-4,7-8,12-13,15H,5-6,9-10H2,1H3;3*1,3-4H2,2H3;
InChIKeyYYIFGNJDHFEVGC-UHFFFAOYSA-N
MW522.36 g/mol
LogP6.14
Rot. Bonds13

About methyl 2-piperidin-2-yl-2-(4-tributylstannylphenyl)acetate

methyl 2-piperidin-2-yl-2-(4-tributylstannylphenyl)acetate (PubChem CID 10768332) has the molecular formula C26H45NO2Sn and a molecular weight of 522.36 g/mol. Its IUPAC name is methyl 2-piperidin-2-yl-2-(4-tributylstannylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-piperidin-2-yl-2-(4-tributylstannylphenyl)acetate
PubChem CID10768332
Molecular FormulaC26H45NO2Sn
Molecular Weight522.36 g/mol
Exact Mass523.25
IUPAC Namemethyl 2-piperidin-2-yl-2-(4-tributylstannylphenyl)acetate
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(C(C(=O)OC)C2CCCCN2)cc1
InChIInChI=1S/C14H18NO2.3C4H9.Sn/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12;3*1-3-4-2;/h3-4,7-8,12-13,15H,5-6,9-10H2,1H3;3*1,3-4H2,2H3;
InChIKeyYYIFGNJDHFEVGC-UHFFFAOYSA-N
XLogP6.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.36
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-piperidin-2-yl-2-(4-tributylstannylphenyl)acetate?
The IUPAC name of methyl 2-piperidin-2-yl-2-(4-tributylstannylphenyl)acetate (CID 10768332) is methyl 2-piperidin-2-yl-2-(4-tributylstannylphenyl)acetate.
What is the SMILES notation for methyl 2-piperidin-2-yl-2-(4-tributylstannylphenyl)acetate?
The canonical SMILES for methyl 2-piperidin-2-yl-2-(4-tributylstannylphenyl)acetate is CCCC[Sn](CCCC)(CCCC)c1ccc(C(C(=O)OC)C2CCCCN2)cc1.
What is the InChIKey of methyl 2-piperidin-2-yl-2-(4-tributylstannylphenyl)acetate?
The InChIKey is YYIFGNJDHFEVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18NO2.3C4H9.Sn/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12;3*1-3-4-2;/h3-4,7-8,12-13,15H,5-6,9-10H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of methyl 2-piperidin-2-yl-2-(4-tributylstannylphenyl)acetate?
methyl 2-piperidin-2-yl-2-(4-tributylstannylphenyl)acetate has a molecular weight of 522.36 g/mol, XLogP of 6.14, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-piperidin-2-yl-2-(4-tributylstannylphenyl)acetate is sourced from PubChem (CID 10768332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).