2-ethyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-propylpiperazine

C16H30N4 — CID 64840555

IUPAC2-ethyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-propylpiperazine
SMILESCCCC1CN(CCCn2ccnc2)C(C)(CC)CN1
InChIInChI=1S/C16H30N4/c1-4-7-15-12-20(16(3,5-2)13-18-15)10-6-9-19-11-8-17-14-19/h8,11,14-15,18H,4-7,9-10,12-13H2,1-3H3
InChIKeyCCUSVWWIGZOKFL-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.52
Rot. Bonds7

About 2-ethyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-propylpiperazine

2-ethyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-propylpiperazine (PubChem CID 64840555) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-ethyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-propylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-propylpiperazine
PubChem CID64840555
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-ethyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-propylpiperazine
SMILESCCCC1CN(CCCn2ccnc2)C(C)(CC)CN1
InChIInChI=1S/C16H30N4/c1-4-7-15-12-20(16(3,5-2)13-18-15)10-6-9-19-11-8-17-14-19/h8,11,14-15,18H,4-7,9-10,12-13H2,1-3H3
InChIKeyCCUSVWWIGZOKFL-UHFFFAOYSA-N
XLogP2.52
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-(3-imidazol-1-ylpropyl)-2,5-dimethylpiperazine
CID 64846106
2-ethyl-1-(3-fluoropropyl)-2-methyl-5-propylpiperazine
CID 81114777
2-ethyl-1-(2-fluoroethyl)-2-methyl-5-propylpiperazine
CID 80698159
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
2-ethyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine
CID 64840168
2,2-diethyl-1-pentyl-5-propylpiperazine
CID 64839985
5-benzyl-2-ethyl-2-methyl-1-pentylpiperazine
CID 64849755
1-(3-imidazol-1-ylpropyl)-4-propylpiperazine
CID 174856512
sodium;1-butylimidazole;bromide
CID 175480877
6-butyl-8-propyl-6,9-diazaspiro[4.5]decane
CID 64838046
5-tert-butyl-2-ethyl-2-methyl-1-octylpiperazine
CID 64842828

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-propylpiperazine?
The IUPAC name of 2-ethyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-propylpiperazine (CID 64840555) is 2-ethyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-propylpiperazine.
What is the SMILES notation for 2-ethyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-propylpiperazine?
The canonical SMILES for 2-ethyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-propylpiperazine is CCCC1CN(CCCn2ccnc2)C(C)(CC)CN1.
What is the InChIKey of 2-ethyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-propylpiperazine?
The InChIKey is CCUSVWWIGZOKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-4-7-15-12-20(16(3,5-2)13-18-15)10-6-9-19-11-8-17-14-19/h8,11,14-15,18H,4-7,9-10,12-13H2,1-3H3.
What are the key properties of 2-ethyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-propylpiperazine?
2-ethyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-propylpiperazine has a molecular weight of 278.44 g/mol, XLogP of 2.52, 7 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-methyl-5-propylpiperazine is sourced from PubChem (CID 64840555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).