2-(4-tert-butylpiperazin-1-yl)-2-(2,5-dimethyl-1H-imidazol-4-yl)acetic acid

C15H26N4O2 — CID 84743903

IUPAC2-(4-tert-butylpiperazin-1-yl)-2-(2,5-dimethyl-1H-imidazol-4-yl)acetic acid
SMILESCc1nc(C(C(=O)O)N2CCN(C(C)(C)C)CC2)c(C)[nH]1
InChIInChI=1S/C15H26N4O2/c1-10-12(17-11(2)16-10)13(14(20)21)18-6-8-19(9-7-18)15(3,4)5/h13H,6-9H2,1-5H3,(H,16,17)(H,20,21)
InChIKeyYLPBIMXNNNWAIR-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.57
Rot. Bonds3

About 2-(4-tert-butylpiperazin-1-yl)-2-(2,5-dimethyl-1H-imidazol-4-yl)acetic acid

2-(4-tert-butylpiperazin-1-yl)-2-(2,5-dimethyl-1H-imidazol-4-yl)acetic acid (PubChem CID 84743903) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(4-tert-butylpiperazin-1-yl)-2-(2,5-dimethyl-1H-imidazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(4-tert-butylpiperazin-1-yl)-2-(2,5-dimethyl-1H-imidazol-4-yl)acetic acid
PubChem CID84743903
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-(4-tert-butylpiperazin-1-yl)-2-(2,5-dimethyl-1H-imidazol-4-yl)acetic acid
SMILESCc1nc(C(C(=O)O)N2CCN(C(C)(C)C)CC2)c(C)[nH]1
InChIInChI=1S/C15H26N4O2/c1-10-12(17-11(2)16-10)13(14(20)21)18-6-8-19(9-7-18)15(3,4)5/h13H,6-9H2,1-5H3,(H,16,17)(H,20,21)
InChIKeyYLPBIMXNNNWAIR-UHFFFAOYSA-N
XLogP1.57
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-2-(2,5-dimethyl-1H-imidazol-4-yl)acetic acid?
The IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-2-(2,5-dimethyl-1H-imidazol-4-yl)acetic acid (CID 84743903) is 2-(4-tert-butylpiperazin-1-yl)-2-(2,5-dimethyl-1H-imidazol-4-yl)acetic acid.
What is the SMILES notation for 2-(4-tert-butylpiperazin-1-yl)-2-(2,5-dimethyl-1H-imidazol-4-yl)acetic acid?
The canonical SMILES for 2-(4-tert-butylpiperazin-1-yl)-2-(2,5-dimethyl-1H-imidazol-4-yl)acetic acid is Cc1nc(C(C(=O)O)N2CCN(C(C)(C)C)CC2)c(C)[nH]1.
What is the InChIKey of 2-(4-tert-butylpiperazin-1-yl)-2-(2,5-dimethyl-1H-imidazol-4-yl)acetic acid?
The InChIKey is YLPBIMXNNNWAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-10-12(17-11(2)16-10)13(14(20)21)18-6-8-19(9-7-18)15(3,4)5/h13H,6-9H2,1-5H3,(H,16,17)(H,20,21).
What are the key properties of 2-(4-tert-butylpiperazin-1-yl)-2-(2,5-dimethyl-1H-imidazol-4-yl)acetic acid?
2-(4-tert-butylpiperazin-1-yl)-2-(2,5-dimethyl-1H-imidazol-4-yl)acetic acid has a molecular weight of 294.40 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperazin-1-yl)-2-(2,5-dimethyl-1H-imidazol-4-yl)acetic acid is sourced from PubChem (CID 84743903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).