3,3-diethylhex-5-enyl piperazine-1-carboxylate

C15H28N2O2 — CID 129160317

IUPAC3,3-diethylhex-5-enyl piperazine-1-carboxylate
SMILESC=CCC(CC)(CC)CCOC(=O)N1CCNCC1
InChIInChI=1S/C15H28N2O2/c1-4-7-15(5-2,6-3)8-13-19-14(18)17-11-9-16-10-12-17/h4,16H,1,5-13H2,2-3H3
InChIKeyVOZKODIWBNEKKB-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.80
Rot. Bonds7

About 3,3-diethylhex-5-enyl piperazine-1-carboxylate

3,3-diethylhex-5-enyl piperazine-1-carboxylate (PubChem CID 129160317) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3,3-diethylhex-5-enyl piperazine-1-carboxylate.

Molecular Properties

Compound Name3,3-diethylhex-5-enyl piperazine-1-carboxylate
PubChem CID129160317
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3,3-diethylhex-5-enyl piperazine-1-carboxylate
SMILESC=CCC(CC)(CC)CCOC(=O)N1CCNCC1
InChIInChI=1S/C15H28N2O2/c1-4-7-15(5-2,6-3)8-13-19-14(18)17-11-9-16-10-12-17/h4,16H,1,5-13H2,2-3H3
InChIKeyVOZKODIWBNEKKB-UHFFFAOYSA-N
XLogP2.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl piperazine-1-carboxylate;formyl chloride
CID 174617176
2-(dimethylamino)ethyl piperazine-1-carboxylate
CID 154187930
bis(ethenyl) 1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate
CID 14938690
ethyl 4-(2-oxo-2-piperazin-1-ylacetyl)piperazine-1-carboxylate
CID 28507309
2,2-dimethylpropyl piperazine-1-carboxylate
CID 68583868
ethyl piperazine-1-carboxylate;sulfuric acid
CID 69107916
ethane;ethyl 1,4-diazepane-1-carboxylate
CID 143666787
butane;tert-butyl piperazine-1-carboxylate
CID 170170212
ethane;propan-2-yl piperazine-1-carboxylate
CID 142145252
tert-butyl piperazine-1-carboxylate;methane
CID 174471990
tert-butyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 57428961
2-ethyl-2-hydroxy-1-piperazin-1-ylbutan-1-one
CID 142001842

Frequently Asked Questions

What is the IUPAC name of 3,3-diethylhex-5-enyl piperazine-1-carboxylate?
The IUPAC name of 3,3-diethylhex-5-enyl piperazine-1-carboxylate (CID 129160317) is 3,3-diethylhex-5-enyl piperazine-1-carboxylate.
What is the SMILES notation for 3,3-diethylhex-5-enyl piperazine-1-carboxylate?
The canonical SMILES for 3,3-diethylhex-5-enyl piperazine-1-carboxylate is C=CCC(CC)(CC)CCOC(=O)N1CCNCC1.
What is the InChIKey of 3,3-diethylhex-5-enyl piperazine-1-carboxylate?
The InChIKey is VOZKODIWBNEKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-7-15(5-2,6-3)8-13-19-14(18)17-11-9-16-10-12-17/h4,16H,1,5-13H2,2-3H3.
What are the key properties of 3,3-diethylhex-5-enyl piperazine-1-carboxylate?
3,3-diethylhex-5-enyl piperazine-1-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethylhex-5-enyl piperazine-1-carboxylate is sourced from PubChem (CID 129160317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).