2-tert-butyl-5-ethyl-5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine

C17H32N4 — CID 114532367

IUPAC2-tert-butyl-5-ethyl-5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine
SMILESCCC1(C)CN(CCc2nccn2C)C(C(C)(C)C)CN1
InChIInChI=1S/C17H32N4/c1-7-17(5)13-21(14(12-19-17)16(2,3)4)10-8-15-18-9-11-20(15)6/h9,11,14,19H,7-8,10,12-13H2,1-6H3
InChIKeyAZPPDTDHRKPNHH-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.45
Rot. Bonds4

About 2-tert-butyl-5-ethyl-5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine

2-tert-butyl-5-ethyl-5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine (PubChem CID 114532367) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-tert-butyl-5-ethyl-5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine.

Molecular Properties

Compound Name2-tert-butyl-5-ethyl-5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine
PubChem CID114532367
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name2-tert-butyl-5-ethyl-5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine
SMILESCCC1(C)CN(CCc2nccn2C)C(C(C)(C)C)CN1
InChIInChI=1S/C17H32N4/c1-7-17(5)13-21(14(12-19-17)16(2,3)4)10-8-15-18-9-11-20(15)6/h9,11,14,19H,7-8,10,12-13H2,1-6H3
InChIKeyAZPPDTDHRKPNHH-UHFFFAOYSA-N
XLogP2.45
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine
CID 81113839
2-tert-butyl-1-(2-ethoxyethyl)-5-ethyl-5-methylpiperazine
CID 64848895
2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine
CID 106458706
2,5-dicyclopropyl-5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine
CID 114532388
9-[2-(1-methylimidazol-2-yl)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 114532376
9-methyl-10-[2-(1-methylimidazol-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane
CID 114532434
8,8-dimethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-6,9-diazaspiro[4.5]decane
CID 114532378
2,5,5-triethyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
CID 64940812
1-[4-tert-butyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine
CID 114531439
5-[2-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 106408830
azane;1-methyl-2-propylimidazole
CID 174525892
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-ethyl-5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine?
The IUPAC name of 2-tert-butyl-5-ethyl-5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine (CID 114532367) is 2-tert-butyl-5-ethyl-5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine.
What is the SMILES notation for 2-tert-butyl-5-ethyl-5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine?
The canonical SMILES for 2-tert-butyl-5-ethyl-5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine is CCC1(C)CN(CCc2nccn2C)C(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-5-ethyl-5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine?
The InChIKey is AZPPDTDHRKPNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-7-17(5)13-21(14(12-19-17)16(2,3)4)10-8-15-18-9-11-20(15)6/h9,11,14,19H,7-8,10,12-13H2,1-6H3.
What are the key properties of 2-tert-butyl-5-ethyl-5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine?
2-tert-butyl-5-ethyl-5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine has a molecular weight of 292.47 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-ethyl-5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine is sourced from PubChem (CID 114532367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).