2-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-(2-methylpropyl)piperazine

C16H30N4 — CID 64849690

IUPAC2-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-(2-methylpropyl)piperazine
SMILESCCC1CNC(CC(C)C)CN1CCn1ccnc1C
InChIInChI=1S/C16H30N4/c1-5-16-11-18-15(10-13(2)3)12-20(16)9-8-19-7-6-17-14(19)4/h6-7,13,15-16,18H,5,8-12H2,1-4H3
InChIKeyCEMLNAFWTJOVDW-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.29
Rot. Bonds6

About 2-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-(2-methylpropyl)piperazine

2-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-(2-methylpropyl)piperazine (PubChem CID 64849690) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name2-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-(2-methylpropyl)piperazine
PubChem CID64849690
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-(2-methylpropyl)piperazine
SMILESCCC1CNC(CC(C)C)CN1CCn1ccnc1C
InChIInChI=1S/C16H30N4/c1-5-16-11-18-15(10-13(2)3)12-20(16)9-8-19-7-6-17-14(19)4/h6-7,13,15-16,18H,5,8-12H2,1-4H3
InChIKeyCEMLNAFWTJOVDW-UHFFFAOYSA-N
XLogP2.29
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 64847055
2-butan-2-yl-5-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 64841937
1-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-yl-5-propylpiperazine
CID 64839360
4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-2-methylpyrimidine
CID 64946749
2-ethyl-1-(5-methylhexyl)-5-(2-methylpropyl)piperazine
CID 115327036
2-ethyl-1-heptyl-5-(2-methylpropyl)piperazine
CID 64848724
1-(2-cyclopentylethyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 64934770
4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 64939479
3-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 64946354
2-ethyl-1-(3-ethylsulfonylpropyl)-5-(2-methylpropyl)piperazine
CID 65097214
2-ethyl-1-[(4-ethylphenyl)methyl]-5-(2-methylpropyl)piperazine
CID 64849498
2-ethyl-1-(2-ethylbutyl)-5-(2-methylpropyl)piperazine
CID 82925413

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-(2-methylpropyl)piperazine?
The IUPAC name of 2-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-(2-methylpropyl)piperazine (CID 64849690) is 2-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 2-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-(2-methylpropyl)piperazine?
The canonical SMILES for 2-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-(2-methylpropyl)piperazine is CCC1CNC(CC(C)C)CN1CCn1ccnc1C.
What is the InChIKey of 2-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-(2-methylpropyl)piperazine?
The InChIKey is CEMLNAFWTJOVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-16-11-18-15(10-13(2)3)12-20(16)9-8-19-7-6-17-14(19)4/h6-7,13,15-16,18H,5,8-12H2,1-4H3.
What are the key properties of 2-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-(2-methylpropyl)piperazine?
2-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-(2-methylpropyl)piperazine has a molecular weight of 278.44 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 64849690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).