2-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-phenylpiperazine

C18H26N2O — CID 80725470

IUPAC2-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-phenylpiperazine
SMILESCCC1CNC(c2ccccc2)CN1C1CC2CCC1O2
InChIInChI=1S/C18H26N2O/c1-2-14-11-19-16(13-6-4-3-5-7-13)12-20(14)17-10-15-8-9-18(17)21-15/h3-7,14-19H,2,8-12H2,1H3
InChIKeyFKLPRBNOKVHJPS-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.73
Rot. Bonds3

About 2-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-phenylpiperazine

2-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-phenylpiperazine (PubChem CID 80725470) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-phenylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-phenylpiperazine
PubChem CID80725470
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-phenylpiperazine
SMILESCCC1CNC(c2ccccc2)CN1C1CC2CCC1O2
InChIInChI=1S/C18H26N2O/c1-2-14-11-19-16(13-6-4-3-5-7-13)12-20(14)17-10-15-8-9-18(17)21-15/h3-7,14-19H,2,8-12H2,1H3
InChIKeyFKLPRBNOKVHJPS-UHFFFAOYSA-N
XLogP2.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-phenylpiperazine?
The IUPAC name of 2-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-phenylpiperazine (CID 80725470) is 2-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-phenylpiperazine.
What is the SMILES notation for 2-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-phenylpiperazine?
The canonical SMILES for 2-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-phenylpiperazine is CCC1CNC(c2ccccc2)CN1C1CC2CCC1O2.
What is the InChIKey of 2-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-phenylpiperazine?
The InChIKey is FKLPRBNOKVHJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-14-11-19-16(13-6-4-3-5-7-13)12-20(14)17-10-15-8-9-18(17)21-15/h3-7,14-19H,2,8-12H2,1H3.
What are the key properties of 2-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-phenylpiperazine?
2-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-phenylpiperazine has a molecular weight of 286.42 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-phenylpiperazine is sourced from PubChem (CID 80725470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).