tert-butyl 2,5-bis(2-methylpropyl)piperazine-1-carboxylate

C17H34N2O2 — CID 156757894

IUPACtert-butyl 2,5-bis(2-methylpropyl)piperazine-1-carboxylate
SMILESCC(C)CC1CN(C(=O)OC(C)(C)C)C(CC(C)C)CN1
InChIInChI=1S/C17H34N2O2/c1-12(2)8-14-11-19(16(20)21-17(5,6)7)15(10-18-14)9-13(3)4/h12-15,18H,8-11H2,1-7H3
InChIKeyNBBAXAIIMROXQY-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.66
Rot. Bonds4

About tert-butyl 2,5-bis(2-methylpropyl)piperazine-1-carboxylate

tert-butyl 2,5-bis(2-methylpropyl)piperazine-1-carboxylate (PubChem CID 156757894) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is tert-butyl 2,5-bis(2-methylpropyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,5-bis(2-methylpropyl)piperazine-1-carboxylate
PubChem CID156757894
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nametert-butyl 2,5-bis(2-methylpropyl)piperazine-1-carboxylate
SMILESCC(C)CC1CN(C(=O)OC(C)(C)C)C(CC(C)C)CN1
InChIInChI=1S/C17H34N2O2/c1-12(2)8-14-11-19(16(20)21-17(5,6)7)15(10-18-14)9-13(3)4/h12-15,18H,8-11H2,1-7H3
InChIKeyNBBAXAIIMROXQY-UHFFFAOYSA-N
XLogP3.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,5-bis(2-methylpropyl)piperazin-1-yl]propan-1-one
CID 82245316
tert-butyl 2-(2-methylpropyl)azetidine-1-carboxylate
CID 143769589
tert-butyl (3S)-3-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride
CID 45072245
tert-butyl (2R,5R)-2-ethyl-5-[(1R)-1-hydroxyethyl]piperazine-1-carboxylate
CID 171480223
tert-butyl (2S)-2-ethyl-5-methylpiperazine-1-carboxylate
CID 175596184
tert-butyl (2R)-5-(hydroxymethyl)-2-methylpiperazine-1-carboxylate
CID 175579571
tert-butyl (2R)-2-ethyl-5-hydroxypiperazine-1-carboxylate
CID 174176969
tert-butyl (2S)-2-(2-methylpropyl)-4-oxopyrrolidine-1-carboxylate
CID 24813169
tert-butyl 2-methyl-5-propylpiperazine-1-carboxylate
CID 134791338
tert-butyl 2-ethylaziridine-1-carboxylate
CID 73192323
tert-butyl 5-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylate
CID 123813645
prop-2-enyl 2-(2-methylpropyl)-5-propan-2-ylpiperazine-1-carboxylate
CID 82247246

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,5-bis(2-methylpropyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 2,5-bis(2-methylpropyl)piperazine-1-carboxylate (CID 156757894) is tert-butyl 2,5-bis(2-methylpropyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2,5-bis(2-methylpropyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2,5-bis(2-methylpropyl)piperazine-1-carboxylate is CC(C)CC1CN(C(=O)OC(C)(C)C)C(CC(C)C)CN1.
What is the InChIKey of tert-butyl 2,5-bis(2-methylpropyl)piperazine-1-carboxylate?
The InChIKey is NBBAXAIIMROXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-12(2)8-14-11-19(16(20)21-17(5,6)7)15(10-18-14)9-13(3)4/h12-15,18H,8-11H2,1-7H3.
What are the key properties of tert-butyl 2,5-bis(2-methylpropyl)piperazine-1-carboxylate?
tert-butyl 2,5-bis(2-methylpropyl)piperazine-1-carboxylate has a molecular weight of 298.47 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,5-bis(2-methylpropyl)piperazine-1-carboxylate is sourced from PubChem (CID 156757894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).