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

C16H30N4 — CID 64841937

IUPAC2-butan-2-yl-5-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine
SMILESCCC1CN(CCn2ccnc2C)C(C(C)CC)CN1
InChIInChI=1S/C16H30N4/c1-5-13(3)16-11-18-15(6-2)12-20(16)10-9-19-8-7-17-14(19)4/h7-8,13,15-16,18H,5-6,9-12H2,1-4H3
InChIKeyGMEFQUDVHFDIDS-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.29
Rot. Bonds6

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

2-butan-2-yl-5-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine (PubChem CID 64841937) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-butan-2-yl-5-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name2-butan-2-yl-5-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine
PubChem CID64841937
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-butan-2-yl-5-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine
SMILESCCC1CN(CCn2ccnc2C)C(C(C)CC)CN1
InChIInChI=1S/C16H30N4/c1-5-13(3)16-11-18-15(6-2)12-20(16)10-9-19-8-7-17-14(19)4/h7-8,13,15-16,18H,5-6,9-12H2,1-4H3
InChIKeyGMEFQUDVHFDIDS-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

1-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-yl-5-propylpiperazine
CID 64839360
2-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-(2-methylpropyl)piperazine
CID 64849690
2-butan-2-yl-1,5-diethylpiperazine
CID 64842903
2-ethyl-5-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 64847055
2-butan-2-yl-5-ethyl-1-octylpiperazine
CID 64842711
2-butan-2-yl-5-ethyl-1-heptylpiperazine
CID 64840963
2-butan-2-yl-5-ethyl-1-(4-methoxybutyl)piperazine
CID 104650200
2-butan-2-yl-5-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 64843102
2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]-5-ethylpiperazine
CID 64842129
2-butan-2-yl-1-(cyclopentylmethyl)-5-ethylpiperazine
CID 64843292
2-butan-2-yl-5-(2-methylpropyl)-1-propylpiperazine
CID 64847775
1-[(2-bromophenyl)methyl]-2-butan-2-yl-5-ethylpiperazine
CID 64841935

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine?
The IUPAC name of 2-butan-2-yl-5-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine (CID 64841937) is 2-butan-2-yl-5-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine.
What is the SMILES notation for 2-butan-2-yl-5-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine?
The canonical SMILES for 2-butan-2-yl-5-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine is CCC1CN(CCn2ccnc2C)C(C(C)CC)CN1.
What is the InChIKey of 2-butan-2-yl-5-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine?
The InChIKey is GMEFQUDVHFDIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-13(3)16-11-18-15(6-2)12-20(16)10-9-19-8-7-17-14(19)4/h7-8,13,15-16,18H,5-6,9-12H2,1-4H3.
What are the key properties of 2-butan-2-yl-5-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine?
2-butan-2-yl-5-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]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-butan-2-yl-5-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine is sourced from PubChem (CID 64841937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).