2-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethoxy]ethanol

C24H29NO2 — CID 70481452

IUPAC2-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethoxy]ethanol
SMILESOCCOCCN1CCC(=C2c3ccccc3CCc3ccccc32)CC1
InChIInChI=1S/C24H29NO2/c26-16-18-27-17-15-25-13-11-21(12-14-25)24-22-7-3-1-5-19(22)9-10-20-6-2-4-8-23(20)24/h1-8,26H,9-18H2
InChIKeyGWMQTLYBSOPCLV-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.69
Rot. Bonds5

About 2-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethoxy]ethanol

2-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethoxy]ethanol (PubChem CID 70481452) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is 2-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethoxy]ethanol
PubChem CID70481452
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name2-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethoxy]ethanol
SMILESOCCOCCN1CCC(=C2c3ccccc3CCc3ccccc32)CC1
InChIInChI=1S/C24H29NO2/c26-16-18-27-17-15-25-13-11-21(12-14-25)24-22-7-3-1-5-19(22)9-10-20-6-2-4-8-23(20)24/h1-8,26H,9-18H2
InChIKeyGWMQTLYBSOPCLV-UHFFFAOYSA-N
XLogP3.69
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethoxy]ethanol (CID 70481452) is 2-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethoxy]ethanol is OCCOCCN1CCC(=C2c3ccccc3CCc3ccccc32)CC1.
What is the InChIKey of 2-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethoxy]ethanol?
The InChIKey is GWMQTLYBSOPCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2/c26-16-18-27-17-15-25-13-11-21(12-14-25)24-22-7-3-1-5-19(22)9-10-20-6-2-4-8-23(20)24/h1-8,26H,9-18H2.
What are the key properties of 2-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethoxy]ethanol?
2-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethoxy]ethanol has a molecular weight of 363.50 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethoxy]ethanol is sourced from PubChem (CID 70481452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).