tert-butyl 2-cyclopropyl-2,5,5-trimethylpiperazine-1-carboxylate

C15H28N2O2 — CID 90013519

IUPACtert-butyl 2-cyclopropyl-2,5,5-trimethylpiperazine-1-carboxylate
SMILESCC1(C)CN(C(=O)OC(C)(C)C)C(C)(C2CC2)CN1
InChIInChI=1S/C15H28N2O2/c1-13(2,3)19-12(18)17-10-14(4,5)16-9-15(17,6)11-7-8-11/h11,16H,7-10H2,1-6H3
InChIKeyIHLIKUANRQLGEA-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.77
Rot. Bonds1

About tert-butyl 2-cyclopropyl-2,5,5-trimethylpiperazine-1-carboxylate

tert-butyl 2-cyclopropyl-2,5,5-trimethylpiperazine-1-carboxylate (PubChem CID 90013519) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is tert-butyl 2-cyclopropyl-2,5,5-trimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-cyclopropyl-2,5,5-trimethylpiperazine-1-carboxylate
PubChem CID90013519
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nametert-butyl 2-cyclopropyl-2,5,5-trimethylpiperazine-1-carboxylate
SMILESCC1(C)CN(C(=O)OC(C)(C)C)C(C)(C2CC2)CN1
InChIInChI=1S/C15H28N2O2/c1-13(2,3)19-12(18)17-10-14(4,5)16-9-15(17,6)11-7-8-11/h11,16H,7-10H2,1-6H3
InChIKeyIHLIKUANRQLGEA-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2,2-diethyl-5,5-dimethylpiperazine-1-carboxylate
CID 90013842
tert-butyl 1-methyl-2,8-diazabicyclo[5.2.0]nonane-2-carboxylate
CID 130114811
tert-butyl (1S)-1-methyl-7-oxo-2-azabicyclo[3.2.0]heptane-2-carboxylate
CID 156758119
tert-butyl 8-hydroxy-8-methyl-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 162493694
(3S,8aS)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid
CID 66972982
tert-butyl 3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 130003362
ditert-butyl (2S)-2-methylpiperazine-1,2-dicarboxylate
CID 86337386
(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 69456813
tert-butyl 2,2-dimethylpiperazine-1-carboxylate;hydrochloride
CID 71607196
tert-butyl 4,4-difluoro-2-(3-methoxyoxiran-2-yl)-2-methylpyrrolidine-1-carboxylate
CID 134571057
tert-butyl 3a-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate;hydrochloride
CID 138106317
(2S)-5-hydroxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 118856356

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-cyclopropyl-2,5,5-trimethylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 2-cyclopropyl-2,5,5-trimethylpiperazine-1-carboxylate (CID 90013519) is tert-butyl 2-cyclopropyl-2,5,5-trimethylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-cyclopropyl-2,5,5-trimethylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2-cyclopropyl-2,5,5-trimethylpiperazine-1-carboxylate is CC1(C)CN(C(=O)OC(C)(C)C)C(C)(C2CC2)CN1.
What is the InChIKey of tert-butyl 2-cyclopropyl-2,5,5-trimethylpiperazine-1-carboxylate?
The InChIKey is IHLIKUANRQLGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-13(2,3)19-12(18)17-10-14(4,5)16-9-15(17,6)11-7-8-11/h11,16H,7-10H2,1-6H3.
What are the key properties of tert-butyl 2-cyclopropyl-2,5,5-trimethylpiperazine-1-carboxylate?
tert-butyl 2-cyclopropyl-2,5,5-trimethylpiperazine-1-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-cyclopropyl-2,5,5-trimethylpiperazine-1-carboxylate is sourced from PubChem (CID 90013519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).