5-tert-butyl-2-cyclopropyl-1-(3-methoxy-3-methylbutyl)-2-methylpiperazine

C18H36N2O — CID 103016447

IUPAC5-tert-butyl-2-cyclopropyl-1-(3-methoxy-3-methylbutyl)-2-methylpiperazine
SMILESCOC(C)(C)CCN1CC(C(C)(C)C)NCC1(C)C1CC1
InChIInChI=1S/C18H36N2O/c1-16(2,3)15-12-20(11-10-17(4,5)21-7)18(6,13-19-15)14-8-9-14/h14-15,19H,8-13H2,1-7H3
InChIKeyZJPYIBZWPMRHAS-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.29
Rot. Bonds5

About 5-tert-butyl-2-cyclopropyl-1-(3-methoxy-3-methylbutyl)-2-methylpiperazine

5-tert-butyl-2-cyclopropyl-1-(3-methoxy-3-methylbutyl)-2-methylpiperazine (PubChem CID 103016447) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 5-tert-butyl-2-cyclopropyl-1-(3-methoxy-3-methylbutyl)-2-methylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-2-cyclopropyl-1-(3-methoxy-3-methylbutyl)-2-methylpiperazine
PubChem CID103016447
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name5-tert-butyl-2-cyclopropyl-1-(3-methoxy-3-methylbutyl)-2-methylpiperazine
SMILESCOC(C)(C)CCN1CC(C(C)(C)C)NCC1(C)C1CC1
InChIInChI=1S/C18H36N2O/c1-16(2,3)15-12-20(11-10-17(4,5)21-7)18(6,13-19-15)14-8-9-14/h14-15,19H,8-13H2,1-7H3
InChIKeyZJPYIBZWPMRHAS-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-2-cyclopropyl-1-heptyl-2-methylpiperazine
CID 64841098
5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxan-4-ylmethyl)piperazine
CID 64842062
5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxolan-3-ylmethyl)piperazine
CID 64842063
2-cyclopropyl-2,5-dimethyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64843995
5-tert-butyl-2-cyclopropyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine
CID 64842067
2-cyclopropyl-5-ethyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592075
5-tert-butyl-2-cyclopropyl-2-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 64842250
5-tert-butyl-2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592078
2-cyclopropyl-2,5-dimethyl-1-(2-propoxyethyl)piperazine
CID 106458523
5-tert-butyl-2-ethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64842641
5-butan-2-yl-2-cyclopropyl-1-(2-methoxyethyl)-2-methylpiperazine
CID 64848079
2,5-dicyclopropyl-1-(3-methoxypropyl)-2-methylpiperazine
CID 64859583

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-cyclopropyl-1-(3-methoxy-3-methylbutyl)-2-methylpiperazine?
The IUPAC name of 5-tert-butyl-2-cyclopropyl-1-(3-methoxy-3-methylbutyl)-2-methylpiperazine (CID 103016447) is 5-tert-butyl-2-cyclopropyl-1-(3-methoxy-3-methylbutyl)-2-methylpiperazine.
What is the SMILES notation for 5-tert-butyl-2-cyclopropyl-1-(3-methoxy-3-methylbutyl)-2-methylpiperazine?
The canonical SMILES for 5-tert-butyl-2-cyclopropyl-1-(3-methoxy-3-methylbutyl)-2-methylpiperazine is COC(C)(C)CCN1CC(C(C)(C)C)NCC1(C)C1CC1.
What is the InChIKey of 5-tert-butyl-2-cyclopropyl-1-(3-methoxy-3-methylbutyl)-2-methylpiperazine?
The InChIKey is ZJPYIBZWPMRHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-16(2,3)15-12-20(11-10-17(4,5)21-7)18(6,13-19-15)14-8-9-14/h14-15,19H,8-13H2,1-7H3.
What are the key properties of 5-tert-butyl-2-cyclopropyl-1-(3-methoxy-3-methylbutyl)-2-methylpiperazine?
5-tert-butyl-2-cyclopropyl-1-(3-methoxy-3-methylbutyl)-2-methylpiperazine has a molecular weight of 296.50 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-cyclopropyl-1-(3-methoxy-3-methylbutyl)-2-methylpiperazine is sourced from PubChem (CID 103016447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).