1-(1-methyl-3-propoxypiperidin-4-yl)-3-tributylstannylprop-2-en-1-ol

C24H49NO2Sn — CID 70001552

IUPAC1-(1-methyl-3-propoxypiperidin-4-yl)-3-tributylstannylprop-2-en-1-ol
SMILESCCCC[Sn](C=CC(O)C1CCN(C)CC1OCCC)(CCCC)CCCC
InChIInChI=1S/C12H22NO2.3C4H9.Sn/c1-4-8-15-12-9-13(3)7-6-10(12)11(14)5-2;3*1-3-4-2;/h2,5,10-12,14H,4,6-9H2,1,3H3;3*1,3-4H2,2H3;
InChIKeyUGRAANTXSXVJRK-UHFFFAOYSA-N
MW502.37 g/mol
LogP6.04
Rot. Bonds15

About 1-(1-methyl-3-propoxypiperidin-4-yl)-3-tributylstannylprop-2-en-1-ol

1-(1-methyl-3-propoxypiperidin-4-yl)-3-tributylstannylprop-2-en-1-ol (PubChem CID 70001552) has the molecular formula C24H49NO2Sn and a molecular weight of 502.37 g/mol. Its IUPAC name is 1-(1-methyl-3-propoxypiperidin-4-yl)-3-tributylstannylprop-2-en-1-ol.

Molecular Properties

Compound Name1-(1-methyl-3-propoxypiperidin-4-yl)-3-tributylstannylprop-2-en-1-ol
PubChem CID70001552
Molecular FormulaC24H49NO2Sn
Molecular Weight502.37 g/mol
Exact Mass503.28
IUPAC Name1-(1-methyl-3-propoxypiperidin-4-yl)-3-tributylstannylprop-2-en-1-ol
SMILESCCCC[Sn](C=CC(O)C1CCN(C)CC1OCCC)(CCCC)CCCC
InChIInChI=1S/C12H22NO2.3C4H9.Sn/c1-4-8-15-12-9-13(3)7-6-10(12)11(14)5-2;3*1-3-4-2;/h2,5,10-12,14H,4,6-9H2,1,3H3;3*1,3-4H2,2H3;
InChIKeyUGRAANTXSXVJRK-UHFFFAOYSA-N
XLogP6.04
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.37
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3-propoxypiperidin-4-yl)-3-tributylstannylprop-2-en-1-ol?
The IUPAC name of 1-(1-methyl-3-propoxypiperidin-4-yl)-3-tributylstannylprop-2-en-1-ol (CID 70001552) is 1-(1-methyl-3-propoxypiperidin-4-yl)-3-tributylstannylprop-2-en-1-ol.
What is the SMILES notation for 1-(1-methyl-3-propoxypiperidin-4-yl)-3-tributylstannylprop-2-en-1-ol?
The canonical SMILES for 1-(1-methyl-3-propoxypiperidin-4-yl)-3-tributylstannylprop-2-en-1-ol is CCCC[Sn](C=CC(O)C1CCN(C)CC1OCCC)(CCCC)CCCC.
What is the InChIKey of 1-(1-methyl-3-propoxypiperidin-4-yl)-3-tributylstannylprop-2-en-1-ol?
The InChIKey is UGRAANTXSXVJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22NO2.3C4H9.Sn/c1-4-8-15-12-9-13(3)7-6-10(12)11(14)5-2;3*1-3-4-2;/h2,5,10-12,14H,4,6-9H2,1,3H3;3*1,3-4H2,2H3;.
What are the key properties of 1-(1-methyl-3-propoxypiperidin-4-yl)-3-tributylstannylprop-2-en-1-ol?
1-(1-methyl-3-propoxypiperidin-4-yl)-3-tributylstannylprop-2-en-1-ol has a molecular weight of 502.37 g/mol, XLogP of 6.04, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3-propoxypiperidin-4-yl)-3-tributylstannylprop-2-en-1-ol is sourced from PubChem (CID 70001552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).