2-tert-butyl-1-(3-methoxy-3-methylbutyl)-5,5-dimethylpiperazine

C16H34N2O — CID 103016361

IUPAC2-tert-butyl-1-(3-methoxy-3-methylbutyl)-5,5-dimethylpiperazine
SMILESCOC(C)(C)CCN1CC(C)(C)NCC1C(C)(C)C
InChIInChI=1S/C16H34N2O/c1-14(2,3)13-11-17-15(4,5)12-18(13)10-9-16(6,7)19-8/h13,17H,9-12H2,1-8H3
InChIKeyXSSJIWDHULXSTA-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds4

About 2-tert-butyl-1-(3-methoxy-3-methylbutyl)-5,5-dimethylpiperazine

2-tert-butyl-1-(3-methoxy-3-methylbutyl)-5,5-dimethylpiperazine (PubChem CID 103016361) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-tert-butyl-1-(3-methoxy-3-methylbutyl)-5,5-dimethylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-1-(3-methoxy-3-methylbutyl)-5,5-dimethylpiperazine
PubChem CID103016361
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-tert-butyl-1-(3-methoxy-3-methylbutyl)-5,5-dimethylpiperazine
SMILESCOC(C)(C)CCN1CC(C)(C)NCC1C(C)(C)C
InChIInChI=1S/C16H34N2O/c1-14(2,3)13-11-17-15(4,5)12-18(13)10-9-16(6,7)19-8/h13,17H,9-12H2,1-8H3
InChIKeyXSSJIWDHULXSTA-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-Methoxy-2,2,3-trimethylbutyl)piperazine
CID 144147436
N-[3-(4-tert-butylpiperazin-1-yl)butan-2-yl]-4-[(2-methylpropan-2-yl)oxy]pentan-2-amine
CID 155214987
ethane;3-[3-(4-ethylpiperazin-1-yl)-3-methylbutoxy]-3-methyl-N-propan-2-ylbutan-1-amine
CID 168190164
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-piperidin-1-ylpropyl)pentan-2-amine
CID 54899828
4-methoxy-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pentan-2-amine
CID 61241408
N-ethyl-1-(4-methoxypiperidin-1-yl)-3,3-dimethylbutan-2-amine
CID 61773871
1-(4-methoxypiperidin-1-yl)-N,3,3-trimethylbutan-2-amine
CID 61774066
1-(2,2-dimethylmorpholin-4-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 61775119

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(3-methoxy-3-methylbutyl)-5,5-dimethylpiperazine?
The IUPAC name of 2-tert-butyl-1-(3-methoxy-3-methylbutyl)-5,5-dimethylpiperazine (CID 103016361) is 2-tert-butyl-1-(3-methoxy-3-methylbutyl)-5,5-dimethylpiperazine.
What is the SMILES notation for 2-tert-butyl-1-(3-methoxy-3-methylbutyl)-5,5-dimethylpiperazine?
The canonical SMILES for 2-tert-butyl-1-(3-methoxy-3-methylbutyl)-5,5-dimethylpiperazine is COC(C)(C)CCN1CC(C)(C)NCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-(3-methoxy-3-methylbutyl)-5,5-dimethylpiperazine?
The InChIKey is XSSJIWDHULXSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-14(2,3)13-11-17-15(4,5)12-18(13)10-9-16(6,7)19-8/h13,17H,9-12H2,1-8H3.
What are the key properties of 2-tert-butyl-1-(3-methoxy-3-methylbutyl)-5,5-dimethylpiperazine?
2-tert-butyl-1-(3-methoxy-3-methylbutyl)-5,5-dimethylpiperazine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(3-methoxy-3-methylbutyl)-5,5-dimethylpiperazine is sourced from PubChem (CID 103016361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).