2,5,5-triethyl-1-[(1-methylimidazol-2-yl)methyl]piperazine

C15H28N4 — CID 64940812

IUPAC2,5,5-triethyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
SMILESCCC1CNC(CC)(CC)CN1Cc1nccn1C
InChIInChI=1S/C15H28N4/c1-5-13-10-17-15(6-2,7-3)12-19(13)11-14-16-8-9-18(14)4/h8-9,13,17H,5-7,10-12H2,1-4H3
InChIKeyKZBQCSJGEKKDBZ-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.16
Rot. Bonds5

About 2,5,5-triethyl-1-[(1-methylimidazol-2-yl)methyl]piperazine

2,5,5-triethyl-1-[(1-methylimidazol-2-yl)methyl]piperazine (PubChem CID 64940812) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2,5,5-triethyl-1-[(1-methylimidazol-2-yl)methyl]piperazine.

Molecular Properties

Compound Name2,5,5-triethyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
PubChem CID64940812
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2,5,5-triethyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
SMILESCCC1CNC(CC)(CC)CN1Cc1nccn1C
InChIInChI=1S/C15H28N4/c1-5-13-10-17-15(6-2,7-3)12-19(13)11-14-16-8-9-18(14)4/h8-9,13,17H,5-7,10-12H2,1-4H3
InChIKeyKZBQCSJGEKKDBZ-UHFFFAOYSA-N
XLogP2.16
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-triethyl-1-[(1-methylimidazol-2-yl)methyl]piperazine?
The IUPAC name of 2,5,5-triethyl-1-[(1-methylimidazol-2-yl)methyl]piperazine (CID 64940812) is 2,5,5-triethyl-1-[(1-methylimidazol-2-yl)methyl]piperazine.
What is the SMILES notation for 2,5,5-triethyl-1-[(1-methylimidazol-2-yl)methyl]piperazine?
The canonical SMILES for 2,5,5-triethyl-1-[(1-methylimidazol-2-yl)methyl]piperazine is CCC1CNC(CC)(CC)CN1Cc1nccn1C.
What is the InChIKey of 2,5,5-triethyl-1-[(1-methylimidazol-2-yl)methyl]piperazine?
The InChIKey is KZBQCSJGEKKDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-13-10-17-15(6-2,7-3)12-19(13)11-14-16-8-9-18(14)4/h8-9,13,17H,5-7,10-12H2,1-4H3.
What are the key properties of 2,5,5-triethyl-1-[(1-methylimidazol-2-yl)methyl]piperazine?
2,5,5-triethyl-1-[(1-methylimidazol-2-yl)methyl]piperazine has a molecular weight of 264.42 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-triethyl-1-[(1-methylimidazol-2-yl)methyl]piperazine is sourced from PubChem (CID 64940812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).