tert-butyl (2R,5R)-2,5-dicyclopropylpiperazine-1-carboxylate

C15H26N2O2 — CID 95396444

IUPACtert-butyl (2R,5R)-2,5-dicyclopropylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](C2CC2)NC[C@H]1C1CC1
InChIInChI=1S/C15H26N2O2/c1-15(2,3)19-14(18)17-9-12(10-4-5-10)16-8-13(17)11-6-7-11/h10-13,16H,4-9H2,1-3H3/t12-,13-/m0/s1
InChIKeyLJTPAFSSEODCRE-STQMWFEESA-N
MW266.38 g/mol
LogP2.38
Rot. Bonds2

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

tert-butyl (2R,5R)-2,5-dicyclopropylpiperazine-1-carboxylate (PubChem CID 95396444) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is tert-butyl (2R,5R)-2,5-dicyclopropylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,5R)-2,5-dicyclopropylpiperazine-1-carboxylate
PubChem CID95396444
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Nametert-butyl (2R,5R)-2,5-dicyclopropylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](C2CC2)NC[C@H]1C1CC1
InChIInChI=1S/C15H26N2O2/c1-15(2,3)19-14(18)17-9-12(10-4-5-10)16-8-13(17)11-6-7-11/h10-13,16H,4-9H2,1-3H3/t12-,13-/m0/s1
InChIKeyLJTPAFSSEODCRE-STQMWFEESA-N
XLogP2.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (1S,5S)-2,6-diazabicyclo[3.2.0]heptane-6-carboxylate
CID 97290175
tert-butyl (1S,6S)-2,7-diazabicyclo[4.2.0]octane-7-carboxylate
CID 97110879
tert-butyl (1S,6R)-3,8-diazabicyclo[4.2.0]octane-3-carboxylate;tert-butyl (1R,6S)-3,8-diazabicyclo[4.2.0]octane-3-carboxylate
CID 86222703
tert-butyl (1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 95396702
tert-butyl (1R,2R,6R,7R)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carboxylate
CID 125461872
tert-butyl 4-hydroxy-7-azabicyclo[4.2.0]octane-7-carboxylate
CID 58739328
tert-butyl (6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxylate
CID 68748334
tert-butyl 2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridine-1-carboxylate;methanol
CID 144976875
tert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate
CID 11745988
tert-butyl 3,8-diazabicyclo[4.2.0]octane-8-carboxylate;2,2,2-trifluoroacetic acid
CID 167994543
tert-butyl 4-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 130204248
tert-butyl 3-acetyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylate
CID 126758495

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,5R)-2,5-dicyclopropylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl (2R,5R)-2,5-dicyclopropylpiperazine-1-carboxylate (CID 95396444) is tert-butyl (2R,5R)-2,5-dicyclopropylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,5R)-2,5-dicyclopropylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,5R)-2,5-dicyclopropylpiperazine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@@H](C2CC2)NC[C@H]1C1CC1.
What is the InChIKey of tert-butyl (2R,5R)-2,5-dicyclopropylpiperazine-1-carboxylate?
The InChIKey is LJTPAFSSEODCRE-STQMWFEESA-N. The full InChI is InChI=1S/C15H26N2O2/c1-15(2,3)19-14(18)17-9-12(10-4-5-10)16-8-13(17)11-6-7-11/h10-13,16H,4-9H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of tert-butyl (2R,5R)-2,5-dicyclopropylpiperazine-1-carboxylate?
tert-butyl (2R,5R)-2,5-dicyclopropylpiperazine-1-carboxylate has a molecular weight of 266.38 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,5R)-2,5-dicyclopropylpiperazine-1-carboxylate is sourced from PubChem (CID 95396444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).