3-methylpentan-3-yl 2,2-dimethylpiperazine-1-carboxylate

C13H26N2O2 — CID 141044506

IUPAC3-methylpentan-3-yl 2,2-dimethylpiperazine-1-carboxylate
SMILESCCC(C)(CC)OC(=O)N1CCNCC1(C)C
InChIInChI=1S/C13H26N2O2/c1-6-13(5,7-2)17-11(16)15-9-8-14-10-12(15,3)4/h14H,6-10H2,1-5H3
InChIKeyLBWUGNBNJWXFIP-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.39
Rot. Bonds3

About 3-methylpentan-3-yl 2,2-dimethylpiperazine-1-carboxylate

3-methylpentan-3-yl 2,2-dimethylpiperazine-1-carboxylate (PubChem CID 141044506) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-methylpentan-3-yl 2,2-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Name3-methylpentan-3-yl 2,2-dimethylpiperazine-1-carboxylate
PubChem CID141044506
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-methylpentan-3-yl 2,2-dimethylpiperazine-1-carboxylate
SMILESCCC(C)(CC)OC(=O)N1CCNCC1(C)C
InChIInChI=1S/C13H26N2O2/c1-6-13(5,7-2)17-11(16)15-9-8-14-10-12(15,3)4/h14H,6-10H2,1-5H3
InChIKeyLBWUGNBNJWXFIP-UHFFFAOYSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2,2-dimethylpiperazine-1-carboxylate;hydrochloride
CID 71607196
1-(2,2-dimethylpiperazin-1-yl)-2-fluoro-2-methylpropan-1-one
CID 130562045
2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone
CID 79001733
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
2,2-dimethyl-N-propylpiperazine-1-carboxamide
CID 65460942
3-methylpentan-3-yl 2-piperazin-1-ylacetate
CID 169025399
tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpiperazine-1-carboxylate
CID 178167079
bis(tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate);oxalic acid
CID 134129817
methyl 2-tert-butyl-2-methylpiperazine-1-carboxylate
CID 175400977
azepan-1-yl-(2,2-dimethylpiperazin-1-yl)methanone
CID 79152217
(2,2-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone
CID 65462539

Frequently Asked Questions

What is the IUPAC name of 3-methylpentan-3-yl 2,2-dimethylpiperazine-1-carboxylate?
The IUPAC name of 3-methylpentan-3-yl 2,2-dimethylpiperazine-1-carboxylate (CID 141044506) is 3-methylpentan-3-yl 2,2-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for 3-methylpentan-3-yl 2,2-dimethylpiperazine-1-carboxylate?
The canonical SMILES for 3-methylpentan-3-yl 2,2-dimethylpiperazine-1-carboxylate is CCC(C)(CC)OC(=O)N1CCNCC1(C)C.
What is the InChIKey of 3-methylpentan-3-yl 2,2-dimethylpiperazine-1-carboxylate?
The InChIKey is LBWUGNBNJWXFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-6-13(5,7-2)17-11(16)15-9-8-14-10-12(15,3)4/h14H,6-10H2,1-5H3.
What are the key properties of 3-methylpentan-3-yl 2,2-dimethylpiperazine-1-carboxylate?
3-methylpentan-3-yl 2,2-dimethylpiperazine-1-carboxylate has a molecular weight of 242.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentan-3-yl 2,2-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 141044506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).