2-ethyl-1-(3-imidazol-1-ylpropyl)-2,5-dimethylpiperazine

C14H26N4 — CID 64846106

IUPAC2-ethyl-1-(3-imidazol-1-ylpropyl)-2,5-dimethylpiperazine
SMILESCCC1(C)CNC(C)CN1CCCn1ccnc1
InChIInChI=1S/C14H26N4/c1-4-14(3)11-16-13(2)10-18(14)8-5-7-17-9-6-15-12-17/h6,9,12-13,16H,4-5,7-8,10-11H2,1-3H3
InChIKeyRXHRFCQODITTEG-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.74
Rot. Bonds5

About 2-ethyl-1-(3-imidazol-1-ylpropyl)-2,5-dimethylpiperazine

2-ethyl-1-(3-imidazol-1-ylpropyl)-2,5-dimethylpiperazine (PubChem CID 64846106) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-ethyl-1-(3-imidazol-1-ylpropyl)-2,5-dimethylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-(3-imidazol-1-ylpropyl)-2,5-dimethylpiperazine
PubChem CID64846106
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2-ethyl-1-(3-imidazol-1-ylpropyl)-2,5-dimethylpiperazine
SMILESCCC1(C)CNC(C)CN1CCCn1ccnc1
InChIInChI=1S/C14H26N4/c1-4-14(3)11-16-13(2)10-18(14)8-5-7-17-9-6-15-12-17/h6,9,12-13,16H,4-5,7-8,10-11H2,1-3H3
InChIKeyRXHRFCQODITTEG-UHFFFAOYSA-N
XLogP1.74
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-propylpiperazine
CID 64840555
5-cyclopropyl-1-(3-imidazol-1-ylpropyl)-2,2-dimethylpiperazine
CID 64862252
5-(3-imidazol-1-ylpropyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66244413
1-(3-imidazol-1-ylpropyl)-4-propylpiperazine
CID 174856512
1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione
CID 64881186
1-(3-imidazol-1-ylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64839499
2,2,5-trimethyl-1-pentylpiperazine
CID 64845904
5-(3-imidazol-1-ylpropoxy)-2-methylpiperidine
CID 62074285
5-tert-butyl-2-ethyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine
CID 64842838
5-(2-imidazol-1-ylethyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66244620
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
bis(1-butylimidazole);heptane;dihydrobromide
CID 175107148

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-imidazol-1-ylpropyl)-2,5-dimethylpiperazine?
The IUPAC name of 2-ethyl-1-(3-imidazol-1-ylpropyl)-2,5-dimethylpiperazine (CID 64846106) is 2-ethyl-1-(3-imidazol-1-ylpropyl)-2,5-dimethylpiperazine.
What is the SMILES notation for 2-ethyl-1-(3-imidazol-1-ylpropyl)-2,5-dimethylpiperazine?
The canonical SMILES for 2-ethyl-1-(3-imidazol-1-ylpropyl)-2,5-dimethylpiperazine is CCC1(C)CNC(C)CN1CCCn1ccnc1.
What is the InChIKey of 2-ethyl-1-(3-imidazol-1-ylpropyl)-2,5-dimethylpiperazine?
The InChIKey is RXHRFCQODITTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-14(3)11-16-13(2)10-18(14)8-5-7-17-9-6-15-12-17/h6,9,12-13,16H,4-5,7-8,10-11H2,1-3H3.
What are the key properties of 2-ethyl-1-(3-imidazol-1-ylpropyl)-2,5-dimethylpiperazine?
2-ethyl-1-(3-imidazol-1-ylpropyl)-2,5-dimethylpiperazine has a molecular weight of 250.39 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-imidazol-1-ylpropyl)-2,5-dimethylpiperazine is sourced from PubChem (CID 64846106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).