tert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate

C11H22N2O2 — CID 11745988

IUPACtert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate
SMILESC[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1
InChIInChI=1S/C11H22N2O2/c1-8-7-13(9(2)6-12-8)10(14)15-11(3,4)5/h8-9,12H,6-7H2,1-5H3/t8-,9+/m1/s1
InChIKeyPGZCVLUQTJRRAA-BDAKNGLRSA-N
MW214.31 g/mol
LogP1.60
Rot. Bonds

About tert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate

tert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate (PubChem CID 11745988) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate
PubChem CID11745988
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate
SMILESC[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1
InChIInChI=1S/C11H22N2O2/c1-8-7-13(9(2)6-12-8)10(14)15-11(3,4)5/h8-9,12H,6-7H2,1-5H3/t8-,9+/m1/s1
InChIKeyPGZCVLUQTJRRAA-BDAKNGLRSA-N
XLogP1.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylbut-3-yn-2-yl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate
CID 89229025
(2S,5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 154574539
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,5R)-5-cyano-2-methylpiperazine-1-carboxylate
CID 172908127
tert-butyl 2-methyl-5-propylpiperazine-1-carboxylate
CID 134791338
tert-butyl 5-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylate
CID 123813645
1-(2,5-dimethylpiperazin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112603434
(2R)-2,5-dimethylpiperazine-1-carboxylic acid
CID 175405538
tert-butyl (3R)-2,3-dimethylazetidine-1-carboxylate
CID 174284070
1-(2,5-dimethylpiperazin-1-yl)ethanone
CID 20691603
butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate
CID 94984334

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate (CID 11745988) is tert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate is C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1.
What is the InChIKey of tert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate?
The InChIKey is PGZCVLUQTJRRAA-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8-7-13(9(2)6-12-8)10(14)15-11(3,4)5/h8-9,12H,6-7H2,1-5H3/t8-,9+/m1/s1.
What are the key properties of tert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate?
tert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 11745988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).