1-(2-bicyclo[2.2.1]heptanyl)-4-ethylpiperazine

C13H24N2 — CID 2846512

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-4-ethylpiperazine
SMILESCCN1CCN(C2CC3CCC2C3)CC1
InChIInChI=1S/C13H24N2/c1-2-14-5-7-15(8-6-14)13-10-11-3-4-12(13)9-11/h11-13H,2-10H2,1H3
InChIKeyIEJJKWFKGNZYCS-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.81
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]heptanyl)-4-ethylpiperazine

1-(2-bicyclo[2.2.1]heptanyl)-4-ethylpiperazine (PubChem CID 2846512) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-4-ethylpiperazine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-4-ethylpiperazine
PubChem CID2846512
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-4-ethylpiperazine
SMILESCCN1CCN(C2CC3CCC2C3)CC1
InChIInChI=1S/C13H24N2/c1-2-14-5-7-15(8-6-14)13-10-11-3-4-12(13)9-11/h11-13H,2-10H2,1H3
InChIKeyIEJJKWFKGNZYCS-UHFFFAOYSA-N
XLogP1.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-ethylpiperazine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-ethylpiperazine (CID 2846512) is 1-(2-bicyclo[2.2.1]heptanyl)-4-ethylpiperazine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-4-ethylpiperazine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-4-ethylpiperazine is CCN1CCN(C2CC3CCC2C3)CC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-4-ethylpiperazine?
The InChIKey is IEJJKWFKGNZYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-2-14-5-7-15(8-6-14)13-10-11-3-4-12(13)9-11/h11-13H,2-10H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-4-ethylpiperazine?
1-(2-bicyclo[2.2.1]heptanyl)-4-ethylpiperazine has a molecular weight of 208.35 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-4-ethylpiperazine is sourced from PubChem (CID 2846512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).