5-tert-butyl-2-ethyl-1-(4-methylpent-1-yn-3-yl)piperazine

C16H30N2 — CID 114202526

IUPAC5-tert-butyl-2-ethyl-1-(4-methylpent-1-yn-3-yl)piperazine
SMILESC#CC(C(C)C)N1CC(C(C)(C)C)NCC1CC
InChIInChI=1S/C16H30N2/c1-8-13-10-17-15(16(5,6)7)11-18(13)14(9-2)12(3)4/h2,12-15,17H,8,10-11H2,1,3-7H3
InChIKeyUXONQMLHFYIGFD-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.74
Rot. Bonds3

About 5-tert-butyl-2-ethyl-1-(4-methylpent-1-yn-3-yl)piperazine

5-tert-butyl-2-ethyl-1-(4-methylpent-1-yn-3-yl)piperazine (PubChem CID 114202526) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 5-tert-butyl-2-ethyl-1-(4-methylpent-1-yn-3-yl)piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-ethyl-1-(4-methylpent-1-yn-3-yl)piperazine
PubChem CID114202526
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name5-tert-butyl-2-ethyl-1-(4-methylpent-1-yn-3-yl)piperazine
SMILESC#CC(C(C)C)N1CC(C(C)(C)C)NCC1CC
InChIInChI=1S/C16H30N2/c1-8-13-10-17-15(16(5,6)7)11-18(13)14(9-2)12(3)4/h2,12-15,17H,8,10-11H2,1,3-7H3
InChIKeyUXONQMLHFYIGFD-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-tert-butyl-2-ethyl-1-hex-5-yn-3-ylpiperazine
CID 113478280
5-tert-butyl-2-ethyl-1-(4-methylsulfanylbutan-2-yl)piperazine
CID 113478263
5-tert-butyl-2-methyl-1-pent-1-yn-3-ylpiperazine
CID 106224574
5-tert-butyl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine
CID 64940687
5-tert-butyl-2-ethyl-1-[1-(2-fluorophenyl)ethyl]piperazine
CID 64945887
5-tert-butyl-2-ethyl-1-(4-methylpentyl)piperazine
CID 64941761
5-tert-butyl-2-ethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64841627
5-tert-butyl-2-ethyl-1-(2-propan-2-ylphenyl)piperazine
CID 64931164
5-tert-butyl-2-methyl-1-propan-2-ylpiperazine
CID 64841228
5-tert-butyl-1-(2-methylpropyl)-2-propylpiperazine
CID 64841242
5-tert-butyl-2-ethyl-1-(4-ethylcyclohexyl)piperazine
CID 64948153
5-tert-butyl-1-(4,4-dimethylcyclohexyl)-2-ethylpiperazine
CID 64941461

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethyl-1-(4-methylpent-1-yn-3-yl)piperazine?
The IUPAC name of 5-tert-butyl-2-ethyl-1-(4-methylpent-1-yn-3-yl)piperazine (CID 114202526) is 5-tert-butyl-2-ethyl-1-(4-methylpent-1-yn-3-yl)piperazine.
What is the SMILES notation for 5-tert-butyl-2-ethyl-1-(4-methylpent-1-yn-3-yl)piperazine?
The canonical SMILES for 5-tert-butyl-2-ethyl-1-(4-methylpent-1-yn-3-yl)piperazine is C#CC(C(C)C)N1CC(C(C)(C)C)NCC1CC.
What is the InChIKey of 5-tert-butyl-2-ethyl-1-(4-methylpent-1-yn-3-yl)piperazine?
The InChIKey is UXONQMLHFYIGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-8-13-10-17-15(16(5,6)7)11-18(13)14(9-2)12(3)4/h2,12-15,17H,8,10-11H2,1,3-7H3.
What are the key properties of 5-tert-butyl-2-ethyl-1-(4-methylpent-1-yn-3-yl)piperazine?
5-tert-butyl-2-ethyl-1-(4-methylpent-1-yn-3-yl)piperazine has a molecular weight of 250.43 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-ethyl-1-(4-methylpent-1-yn-3-yl)piperazine is sourced from PubChem (CID 114202526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).