2-(4-ethenyl-3-ethylphenoxy)-7-(piperidin-4-ylmethyl)-7-azaspiro[3.5]nonane

C24H36N2O — CID 154670836

IUPAC2-(4-ethenyl-3-ethylphenoxy)-7-(piperidin-4-ylmethyl)-7-azaspiro[3.5]nonane
SMILESC=Cc1ccc(OC2CC3(CCN(CC4CCNCC4)CC3)C2)cc1CC
InChIInChI=1S/C24H36N2O/c1-3-20-5-6-22(15-21(20)4-2)27-23-16-24(17-23)9-13-26(14-10-24)18-19-7-11-25-12-8-19/h3,5-6,15,19,23,25H,1,4,7-14,16-18H2,2H3
InChIKeyZTOWIHPXLKVXQF-UHFFFAOYSA-N
MW368.57 g/mol
LogP4.51
Rot. Bonds6

About 2-(4-ethenyl-3-ethylphenoxy)-7-(piperidin-4-ylmethyl)-7-azaspiro[3.5]nonane

2-(4-ethenyl-3-ethylphenoxy)-7-(piperidin-4-ylmethyl)-7-azaspiro[3.5]nonane (PubChem CID 154670836) has the molecular formula C24H36N2O and a molecular weight of 368.57 g/mol. Its IUPAC name is 2-(4-ethenyl-3-ethylphenoxy)-7-(piperidin-4-ylmethyl)-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(4-ethenyl-3-ethylphenoxy)-7-(piperidin-4-ylmethyl)-7-azaspiro[3.5]nonane
PubChem CID154670836
Molecular FormulaC24H36N2O
Molecular Weight368.57 g/mol
Exact Mass368.28
IUPAC Name2-(4-ethenyl-3-ethylphenoxy)-7-(piperidin-4-ylmethyl)-7-azaspiro[3.5]nonane
SMILESC=Cc1ccc(OC2CC3(CCN(CC4CCNCC4)CC3)C2)cc1CC
InChIInChI=1S/C24H36N2O/c1-3-20-5-6-22(15-21(20)4-2)27-23-16-24(17-23)9-13-26(14-10-24)18-19-7-11-25-12-8-19/h3,5-6,15,19,23,25H,1,4,7-14,16-18H2,2H3
InChIKeyZTOWIHPXLKVXQF-UHFFFAOYSA-N
XLogP4.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenyl-3-ethylphenoxy)-7-(piperidin-4-ylmethyl)-7-azaspiro[3.5]nonane?
The IUPAC name of 2-(4-ethenyl-3-ethylphenoxy)-7-(piperidin-4-ylmethyl)-7-azaspiro[3.5]nonane (CID 154670836) is 2-(4-ethenyl-3-ethylphenoxy)-7-(piperidin-4-ylmethyl)-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(4-ethenyl-3-ethylphenoxy)-7-(piperidin-4-ylmethyl)-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-(4-ethenyl-3-ethylphenoxy)-7-(piperidin-4-ylmethyl)-7-azaspiro[3.5]nonane is C=Cc1ccc(OC2CC3(CCN(CC4CCNCC4)CC3)C2)cc1CC.
What is the InChIKey of 2-(4-ethenyl-3-ethylphenoxy)-7-(piperidin-4-ylmethyl)-7-azaspiro[3.5]nonane?
The InChIKey is ZTOWIHPXLKVXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O/c1-3-20-5-6-22(15-21(20)4-2)27-23-16-24(17-23)9-13-26(14-10-24)18-19-7-11-25-12-8-19/h3,5-6,15,19,23,25H,1,4,7-14,16-18H2,2H3.
What are the key properties of 2-(4-ethenyl-3-ethylphenoxy)-7-(piperidin-4-ylmethyl)-7-azaspiro[3.5]nonane?
2-(4-ethenyl-3-ethylphenoxy)-7-(piperidin-4-ylmethyl)-7-azaspiro[3.5]nonane has a molecular weight of 368.57 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenyl-3-ethylphenoxy)-7-(piperidin-4-ylmethyl)-7-azaspiro[3.5]nonane is sourced from PubChem (CID 154670836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).