2,2-dimethylpropyl piperazine-1-carboxylate

C10H20N2O2 — CID 68583868

IUPAC2,2-dimethylpropyl piperazine-1-carboxylate
SMILESCC(C)(C)COC(=O)N1CCNCC1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)8-14-9(13)12-6-4-11-5-7-12/h11H,4-8H2,1-3H3
InChIKeyRPVJWGJEXCSQIY-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.07
Rot. Bonds1

About 2,2-dimethylpropyl piperazine-1-carboxylate

2,2-dimethylpropyl piperazine-1-carboxylate (PubChem CID 68583868) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2,2-dimethylpropyl piperazine-1-carboxylate.

Molecular Properties

Compound Name2,2-dimethylpropyl piperazine-1-carboxylate
PubChem CID68583868
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2,2-dimethylpropyl piperazine-1-carboxylate
SMILESCC(C)(C)COC(=O)N1CCNCC1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)8-14-9(13)12-6-4-11-5-7-12/h11H,4-8H2,1-3H3
InChIKeyRPVJWGJEXCSQIY-UHFFFAOYSA-N
XLogP1.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate
CID 159012212
ethyl piperazine-1-carboxylate;sulfuric acid
CID 69107916
ethyl 4-(2-oxo-2-piperazin-1-ylacetyl)piperazine-1-carboxylate
CID 28507309
2,2-dimethylpropyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 163569785
1-O-(2,2-dimethylpropyl) 4-O-(1-hydroxy-2-methylpropan-2-yl) piperazine-1,4-dicarboxylate
CID 11544213
tert-butyl piperazine-1-carboxylate;methane
CID 174471990
tert-butyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 57428961
ethane;ethyl 1,4-diazepane-1-carboxylate
CID 143666787
butane;tert-butyl piperazine-1-carboxylate
CID 170170212
ethyl piperazine-1-carboxylate;formyl chloride
CID 174617176
tert-butyl piperazine-1-carboxylate;nitroxyl
CID 172741064
(4-tert-butylphenyl)methyl piperazine-1-carboxylate
CID 69141163

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl piperazine-1-carboxylate?
The IUPAC name of 2,2-dimethylpropyl piperazine-1-carboxylate (CID 68583868) is 2,2-dimethylpropyl piperazine-1-carboxylate.
What is the SMILES notation for 2,2-dimethylpropyl piperazine-1-carboxylate?
The canonical SMILES for 2,2-dimethylpropyl piperazine-1-carboxylate is CC(C)(C)COC(=O)N1CCNCC1.
What is the InChIKey of 2,2-dimethylpropyl piperazine-1-carboxylate?
The InChIKey is RPVJWGJEXCSQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)8-14-9(13)12-6-4-11-5-7-12/h11H,4-8H2,1-3H3.
What are the key properties of 2,2-dimethylpropyl piperazine-1-carboxylate?
2,2-dimethylpropyl piperazine-1-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl piperazine-1-carboxylate is sourced from PubChem (CID 68583868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).