8-ethyl-3-(piperazin-1-ylmethyl)-8-azabicyclo[3.2.1]octane

C14H27N3 — CID 170586030

IUPAC8-ethyl-3-(piperazin-1-ylmethyl)-8-azabicyclo[3.2.1]octane
SMILESCCN1C2CCC1CC(CN1CCNCC1)C2
InChIInChI=1S/C14H27N3/c1-2-17-13-3-4-14(17)10-12(9-13)11-16-7-5-15-6-8-16/h12-15H,2-11H2,1H3
InChIKeyFURXGTMOMMJAFI-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.15
Rot. Bonds3

About 8-ethyl-3-(piperazin-1-ylmethyl)-8-azabicyclo[3.2.1]octane

8-ethyl-3-(piperazin-1-ylmethyl)-8-azabicyclo[3.2.1]octane (PubChem CID 170586030) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 8-ethyl-3-(piperazin-1-ylmethyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-ethyl-3-(piperazin-1-ylmethyl)-8-azabicyclo[3.2.1]octane
PubChem CID170586030
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name8-ethyl-3-(piperazin-1-ylmethyl)-8-azabicyclo[3.2.1]octane
SMILESCCN1C2CCC1CC(CN1CCNCC1)C2
InChIInChI=1S/C14H27N3/c1-2-17-13-3-4-14(17)10-12(9-13)11-16-7-5-15-6-8-16/h12-15H,2-11H2,1H3
InChIKeyFURXGTMOMMJAFI-UHFFFAOYSA-N
XLogP1.15
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-ethyl-3-(piperazin-1-ylmethyl)-8-azabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-(piperazin-1-ylmethyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-ethyl-3-(piperazin-1-ylmethyl)-8-azabicyclo[3.2.1]octane (CID 170586030) is 8-ethyl-3-(piperazin-1-ylmethyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-ethyl-3-(piperazin-1-ylmethyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-ethyl-3-(piperazin-1-ylmethyl)-8-azabicyclo[3.2.1]octane is CCN1C2CCC1CC(CN1CCNCC1)C2.
What is the InChIKey of 8-ethyl-3-(piperazin-1-ylmethyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is FURXGTMOMMJAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-2-17-13-3-4-14(17)10-12(9-13)11-16-7-5-15-6-8-16/h12-15H,2-11H2,1H3.
What are the key properties of 8-ethyl-3-(piperazin-1-ylmethyl)-8-azabicyclo[3.2.1]octane?
8-ethyl-3-(piperazin-1-ylmethyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 237.39 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-(piperazin-1-ylmethyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 170586030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).