2-tert-butyl-5-ethyl-1-(3-methoxy-3-methylbutyl)piperazine

C16H34N2O — CID 103016400

IUPAC2-tert-butyl-5-ethyl-1-(3-methoxy-3-methylbutyl)piperazine
SMILESCCC1CN(CCC(C)(C)OC)C(C(C)(C)C)CN1
InChIInChI=1S/C16H34N2O/c1-8-13-12-18(10-9-16(5,6)19-7)14(11-17-13)15(2,3)4/h13-14,17H,8-12H2,1-7H3
InChIKeyJCHVCUWMDCPMRF-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds5

About 2-tert-butyl-5-ethyl-1-(3-methoxy-3-methylbutyl)piperazine

2-tert-butyl-5-ethyl-1-(3-methoxy-3-methylbutyl)piperazine (PubChem CID 103016400) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-tert-butyl-5-ethyl-1-(3-methoxy-3-methylbutyl)piperazine.

Molecular Properties

Compound Name2-tert-butyl-5-ethyl-1-(3-methoxy-3-methylbutyl)piperazine
PubChem CID103016400
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-tert-butyl-5-ethyl-1-(3-methoxy-3-methylbutyl)piperazine
SMILESCCC1CN(CCC(C)(C)OC)C(C(C)(C)C)CN1
InChIInChI=1S/C16H34N2O/c1-8-13-12-18(10-9-16(5,6)19-7)14(11-17-13)15(2,3)4/h13-14,17H,8-12H2,1-7H3
InChIKeyJCHVCUWMDCPMRF-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Methoxy-3-methylbutyl)piperazine
CID 12052553
1-(3,3-Dimethylbutyl)-4-(3-methoxy-3-methylbutyl)piperazine
CID 89747720
1-(3-Methoxy-2,2,3-trimethylbutyl)piperazine
CID 144147436
ethane;3-[3-(4-ethylpiperazin-1-yl)-3-methylbutoxy]-3-methyl-N-propan-2-ylbutan-1-amine
CID 168190164
N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-piperazin-1-ylbutan-1-amine
CID 170390265
2-(2-Methoxypropan-2-yl)-1-methylpiperazine
CID 173469720
1-Ethyl-2-(2-methoxypropan-2-yl)piperazine
CID 173469723
4-methoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]pentan-2-amine
CID 43147157
4-methoxy-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentan-2-amine
CID 43147230
4-methoxy-4-methyl-N-(1-piperidin-1-ylpropan-2-yl)pentan-2-amine
CID 43749003
4-methoxy-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine
CID 54861123
4-methoxy-4-methyl-N-(2-piperidin-1-ylpropyl)pentan-2-amine
CID 54899828

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-ethyl-1-(3-methoxy-3-methylbutyl)piperazine?
The IUPAC name of 2-tert-butyl-5-ethyl-1-(3-methoxy-3-methylbutyl)piperazine (CID 103016400) is 2-tert-butyl-5-ethyl-1-(3-methoxy-3-methylbutyl)piperazine.
What is the SMILES notation for 2-tert-butyl-5-ethyl-1-(3-methoxy-3-methylbutyl)piperazine?
The canonical SMILES for 2-tert-butyl-5-ethyl-1-(3-methoxy-3-methylbutyl)piperazine is CCC1CN(CCC(C)(C)OC)C(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-5-ethyl-1-(3-methoxy-3-methylbutyl)piperazine?
The InChIKey is JCHVCUWMDCPMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-8-13-12-18(10-9-16(5,6)19-7)14(11-17-13)15(2,3)4/h13-14,17H,8-12H2,1-7H3.
What are the key properties of 2-tert-butyl-5-ethyl-1-(3-methoxy-3-methylbutyl)piperazine?
2-tert-butyl-5-ethyl-1-(3-methoxy-3-methylbutyl)piperazine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-ethyl-1-(3-methoxy-3-methylbutyl)piperazine is sourced from PubChem (CID 103016400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).