2,2-diethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine

C14H26N4 — CID 64845801

IUPAC2,2-diethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine
SMILESCCC1(CC)CNCCN1CCn1ccnc1C
InChIInChI=1S/C14H26N4/c1-4-14(5-2)12-15-6-9-18(14)11-10-17-8-7-16-13(17)3/h7-8,15H,4-6,9-12H2,1-3H3
InChIKeyBUSKRYVOORQXIL-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.66
Rot. Bonds5

About 2,2-diethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine

2,2-diethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine (PubChem CID 64845801) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2,2-diethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name2,2-diethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine
PubChem CID64845801
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2,2-diethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine
SMILESCCC1(CC)CNCCN1CCn1ccnc1C
InChIInChI=1S/C14H26N4/c1-4-14(5-2)12-15-6-9-18(14)11-10-17-8-7-16-13(17)3/h7-8,15H,4-6,9-12H2,1-3H3
InChIKeyBUSKRYVOORQXIL-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine?
The IUPAC name of 2,2-diethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine (CID 64845801) is 2,2-diethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine.
What is the SMILES notation for 2,2-diethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine?
The canonical SMILES for 2,2-diethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine is CCC1(CC)CNCCN1CCn1ccnc1C.
What is the InChIKey of 2,2-diethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine?
The InChIKey is BUSKRYVOORQXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-14(5-2)12-15-6-9-18(14)11-10-17-8-7-16-13(17)3/h7-8,15H,4-6,9-12H2,1-3H3.
What are the key properties of 2,2-diethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine?
2,2-diethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine has a molecular weight of 250.39 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine is sourced from PubChem (CID 64845801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).