1-(1-methyl-4-propoxypiperidin-3-yl)-4-tributylstannylbut-3-en-1-ol

C25H51NO2Sn — CID 70001093

IUPAC1-(1-methyl-4-propoxypiperidin-3-yl)-4-tributylstannylbut-3-en-1-ol
SMILESCCCC[Sn](C=CCC(O)C1CN(C)CCC1OCCC)(CCCC)CCCC
InChIInChI=1S/C13H24NO2.3C4H9.Sn/c1-4-6-12(15)11-10-14(3)8-7-13(11)16-9-5-2;3*1-3-4-2;/h1,4,11-13,15H,5-10H2,2-3H3;3*1,3-4H2,2H3;
InChIKeyKVNGFKMTZZSMON-UHFFFAOYSA-N
MW516.40 g/mol
LogP6.43
Rot. Bonds16

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

1-(1-methyl-4-propoxypiperidin-3-yl)-4-tributylstannylbut-3-en-1-ol (PubChem CID 70001093) has the molecular formula C25H51NO2Sn and a molecular weight of 516.40 g/mol. Its IUPAC name is 1-(1-methyl-4-propoxypiperidin-3-yl)-4-tributylstannylbut-3-en-1-ol.

Molecular Properties

Compound Name1-(1-methyl-4-propoxypiperidin-3-yl)-4-tributylstannylbut-3-en-1-ol
PubChem CID70001093
Molecular FormulaC25H51NO2Sn
Molecular Weight516.40 g/mol
Exact Mass517.29
IUPAC Name1-(1-methyl-4-propoxypiperidin-3-yl)-4-tributylstannylbut-3-en-1-ol
SMILESCCCC[Sn](C=CCC(O)C1CN(C)CCC1OCCC)(CCCC)CCCC
InChIInChI=1S/C13H24NO2.3C4H9.Sn/c1-4-6-12(15)11-10-14(3)8-7-13(11)16-9-5-2;3*1-3-4-2;/h1,4,11-13,15H,5-10H2,2-3H3;3*1,3-4H2,2H3;
InChIKeyKVNGFKMTZZSMON-UHFFFAOYSA-N
XLogP6.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.40
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-4-propoxypiperidin-3-yl)-4-tributylstannylbut-3-en-1-ol?
The IUPAC name of 1-(1-methyl-4-propoxypiperidin-3-yl)-4-tributylstannylbut-3-en-1-ol (CID 70001093) is 1-(1-methyl-4-propoxypiperidin-3-yl)-4-tributylstannylbut-3-en-1-ol.
What is the SMILES notation for 1-(1-methyl-4-propoxypiperidin-3-yl)-4-tributylstannylbut-3-en-1-ol?
The canonical SMILES for 1-(1-methyl-4-propoxypiperidin-3-yl)-4-tributylstannylbut-3-en-1-ol is CCCC[Sn](C=CCC(O)C1CN(C)CCC1OCCC)(CCCC)CCCC.
What is the InChIKey of 1-(1-methyl-4-propoxypiperidin-3-yl)-4-tributylstannylbut-3-en-1-ol?
The InChIKey is KVNGFKMTZZSMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24NO2.3C4H9.Sn/c1-4-6-12(15)11-10-14(3)8-7-13(11)16-9-5-2;3*1-3-4-2;/h1,4,11-13,15H,5-10H2,2-3H3;3*1,3-4H2,2H3;.
What are the key properties of 1-(1-methyl-4-propoxypiperidin-3-yl)-4-tributylstannylbut-3-en-1-ol?
1-(1-methyl-4-propoxypiperidin-3-yl)-4-tributylstannylbut-3-en-1-ol has a molecular weight of 516.40 g/mol, XLogP of 6.43, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-4-propoxypiperidin-3-yl)-4-tributylstannylbut-3-en-1-ol is sourced from PubChem (CID 70001093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).