1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-ethylpiperazine

C14H24N2 — CID 2845906

IUPAC1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-ethylpiperazine
SMILESCCN1CCN(CC2CC3C=CC2C3)CC1
InChIInChI=1S/C14H24N2/c1-2-15-5-7-16(8-6-15)11-14-10-12-3-4-13(14)9-12/h3-4,12-14H,2,5-11H2,1H3
InChIKeyPDGVEKQRRLWLAS-UHFFFAOYSA-N
MW220.36 g/mol
LogP1.84
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-ethylpiperazine

1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-ethylpiperazine (PubChem CID 2845906) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-ethylpiperazine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-ethylpiperazine
PubChem CID2845906
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-ethylpiperazine
SMILESCCN1CCN(CC2CC3C=CC2C3)CC1
InChIInChI=1S/C14H24N2/c1-2-15-5-7-16(8-6-15)11-14-10-12-3-4-13(14)9-12/h3-4,12-14H,2,5-11H2,1H3
InChIKeyPDGVEKQRRLWLAS-UHFFFAOYSA-N
XLogP1.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,7-Methanoisoindoline, 3a,7a-dihydro-2-(diethylaminoethyl)-
CID 99793
1-(5-Bicyclo[2.2.1]hept-2-enylmethyl)-4-methyl-1,4-diazepane
CID 2845566
Piperazine, 1-(3-cyclohexen-1-ylmethyl)-4-ethyl-(9CI)
CID 2845926
Cambridge id 5427294
CID 2845938
Cambridge id 5429487
CID 2846063
1-(5-Bicyclo[2.2.1]hept-2-enylmethyl)-4-butan-2-ylpiperazine
CID 2881302
1-(Bicyclo[2.2.1]hept-5-en-2-ylmethyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine
CID 3150613
1-[3-[(dimethylamino)methyl]-2-bicyclo[2.2.1]hept-5-enyl]-N,N-dimethylmethanamine
CID 299884
(Bicyclo[2.2.1]hept-5-en-2-ylmethyl)bis[3-(dimethylamino)propyl]amine
CID 2845840
2-Bicyclo[2.2.1]hept-5-enylmethyl(trimethyl)azanium
CID 102294300
1-(Bicyclo[2.2.1]hept-5-en-2-ylmethyl)-4-cyclopentylpiperazine
CID 2881306
1-(Bicyclo[2.2.1]hept-5-en-2-ylmethyl)-4-cycloheptylpiperazine
CID 2881483

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-ethylpiperazine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-ethylpiperazine (CID 2845906) is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-ethylpiperazine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-ethylpiperazine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-ethylpiperazine is CCN1CCN(CC2CC3C=CC2C3)CC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-ethylpiperazine?
The InChIKey is PDGVEKQRRLWLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-2-15-5-7-16(8-6-15)11-14-10-12-3-4-13(14)9-12/h3-4,12-14H,2,5-11H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-ethylpiperazine?
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-ethylpiperazine has a molecular weight of 220.36 g/mol, XLogP of 1.84, 3 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]hept-5-enylmethyl)-4-ethylpiperazine is sourced from PubChem (CID 2845906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).