5-tert-butyl-2-ethyl-1-(4-methylpentyl)piperazine

C16H34N2 — CID 64941761

IUPAC5-tert-butyl-2-ethyl-1-(4-methylpentyl)piperazine
SMILESCCC1CNC(C(C)(C)C)CN1CCCC(C)C
InChIInChI=1S/C16H34N2/c1-7-14-11-17-15(16(4,5)6)12-18(14)10-8-9-13(2)3/h13-15,17H,7-12H2,1-6H3
InChIKeyMGTJLSHUZHJCNS-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds5

About 5-tert-butyl-2-ethyl-1-(4-methylpentyl)piperazine

5-tert-butyl-2-ethyl-1-(4-methylpentyl)piperazine (PubChem CID 64941761) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 5-tert-butyl-2-ethyl-1-(4-methylpentyl)piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-ethyl-1-(4-methylpentyl)piperazine
PubChem CID64941761
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name5-tert-butyl-2-ethyl-1-(4-methylpentyl)piperazine
SMILESCCC1CNC(C(C)(C)C)CN1CCCC(C)C
InChIInChI=1S/C16H34N2/c1-7-14-11-17-15(16(4,5)6)12-18(14)10-8-9-13(2)3/h13-15,17H,7-12H2,1-6H3
InChIKeyMGTJLSHUZHJCNS-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-1-(4-methylpentyl)-2-propylpiperazine
CID 83169228
5-tert-butyl-2-ethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64841627
3-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
CID 64935199
5-tert-butyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine
CID 113488306
2-ethyl-1-(5-methylhexyl)-5-(2-methylpropyl)piperazine
CID 115327036
5-tert-butyl-2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine
CID 64840877
5-tert-butyl-1-heptyl-2-propylpiperazine
CID 64841631
5-cyclopropyl-2-ethyl-1-(5-methylhexyl)piperazine
CID 115327094
5-tert-butyl-2-methyl-1-(3-methylbutyl)piperazine
CID 64841815
5-tert-butyl-1-(2-methylpropyl)-2-propylpiperazine
CID 64841242
2-ethyl-1-(4-methylpentyl)-5-phenylpiperazine
CID 64939440
1-(2-but-3-enoxyethyl)-5-tert-butyl-2-ethylpiperazine
CID 106409163

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethyl-1-(4-methylpentyl)piperazine?
The IUPAC name of 5-tert-butyl-2-ethyl-1-(4-methylpentyl)piperazine (CID 64941761) is 5-tert-butyl-2-ethyl-1-(4-methylpentyl)piperazine.
What is the SMILES notation for 5-tert-butyl-2-ethyl-1-(4-methylpentyl)piperazine?
The canonical SMILES for 5-tert-butyl-2-ethyl-1-(4-methylpentyl)piperazine is CCC1CNC(C(C)(C)C)CN1CCCC(C)C.
What is the InChIKey of 5-tert-butyl-2-ethyl-1-(4-methylpentyl)piperazine?
The InChIKey is MGTJLSHUZHJCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-14-11-17-15(16(4,5)6)12-18(14)10-8-9-13(2)3/h13-15,17H,7-12H2,1-6H3.
What are the key properties of 5-tert-butyl-2-ethyl-1-(4-methylpentyl)piperazine?
5-tert-butyl-2-ethyl-1-(4-methylpentyl)piperazine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 5 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-methylpentyl)piperazine is sourced from PubChem (CID 64941761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).