2-[1-[(E)-3-tributylstannylprop-2-enyl]piperidin-4-yl]ethanol

C22H45NOSn — CID 10182900

IUPAC2-[1-[(E)-3-tributylstannylprop-2-enyl]piperidin-4-yl]ethanol
SMILESCCCC[Sn](/C=C/CN1CCC(CCO)CC1)(CCCC)CCCC
InChIInChI=1S/C10H18NO.3C4H9.Sn/c1-2-6-11-7-3-10(4-8-11)5-9-12;3*1-3-4-2;/h1-2,10,12H,3-9H2;3*1,3-4H2,2H3;
InChIKeyUESKKBLZMYVYBV-UHFFFAOYSA-N
MW458.32 g/mol
LogP6.03
Rot. Bonds14

About 2-[1-[(E)-3-tributylstannylprop-2-enyl]piperidin-4-yl]ethanol

2-[1-[(E)-3-tributylstannylprop-2-enyl]piperidin-4-yl]ethanol (PubChem CID 10182900) has the molecular formula C22H45NOSn and a molecular weight of 458.32 g/mol. Its IUPAC name is 2-[1-[(E)-3-tributylstannylprop-2-enyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(E)-3-tributylstannylprop-2-enyl]piperidin-4-yl]ethanol
PubChem CID10182900
Molecular FormulaC22H45NOSn
Molecular Weight458.32 g/mol
Exact Mass459.25
IUPAC Name2-[1-[(E)-3-tributylstannylprop-2-enyl]piperidin-4-yl]ethanol
SMILESCCCC[Sn](/C=C/CN1CCC(CCO)CC1)(CCCC)CCCC
InChIInChI=1S/C10H18NO.3C4H9.Sn/c1-2-6-11-7-3-10(4-8-11)5-9-12;3*1-3-4-2;/h1-2,10,12H,3-9H2;3*1,3-4H2,2H3;
InChIKeyUESKKBLZMYVYBV-UHFFFAOYSA-N
XLogP6.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.32
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-3-tributylstannylprop-2-enyl]piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-[(E)-3-tributylstannylprop-2-enyl]piperidin-4-yl]ethanol (CID 10182900) is 2-[1-[(E)-3-tributylstannylprop-2-enyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-[(E)-3-tributylstannylprop-2-enyl]piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-[(E)-3-tributylstannylprop-2-enyl]piperidin-4-yl]ethanol is CCCC[Sn](/C=C/CN1CCC(CCO)CC1)(CCCC)CCCC.
What is the InChIKey of 2-[1-[(E)-3-tributylstannylprop-2-enyl]piperidin-4-yl]ethanol?
The InChIKey is UESKKBLZMYVYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18NO.3C4H9.Sn/c1-2-6-11-7-3-10(4-8-11)5-9-12;3*1-3-4-2;/h1-2,10,12H,3-9H2;3*1,3-4H2,2H3;.
What are the key properties of 2-[1-[(E)-3-tributylstannylprop-2-enyl]piperidin-4-yl]ethanol?
2-[1-[(E)-3-tributylstannylprop-2-enyl]piperidin-4-yl]ethanol has a molecular weight of 458.32 g/mol, XLogP of 6.03, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-3-tributylstannylprop-2-enyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 10182900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).