2,2,5-triethyl-1-prop-2-enylpiperazine

C13H26N2 — CID 64842758

IUPAC2,2,5-triethyl-1-prop-2-enylpiperazine
SMILESC=CCN1CC(CC)NCC1(CC)CC
InChIInChI=1S/C13H26N2/c1-5-9-15-10-12(6-2)14-11-13(15,7-3)8-4/h5,12,14H,1,6-11H2,2-4H3
InChIKeyXJNGBMHZOVTBGS-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.41
Rot. Bonds5

About 2,2,5-triethyl-1-prop-2-enylpiperazine

2,2,5-triethyl-1-prop-2-enylpiperazine (PubChem CID 64842758) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2,2,5-triethyl-1-prop-2-enylpiperazine.

Molecular Properties

Compound Name2,2,5-triethyl-1-prop-2-enylpiperazine
PubChem CID64842758
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2,2,5-triethyl-1-prop-2-enylpiperazine
SMILESC=CCN1CC(CC)NCC1(CC)CC
InChIInChI=1S/C13H26N2/c1-5-9-15-10-12(6-2)14-11-13(15,7-3)8-4/h5,12,14H,1,6-11H2,2-4H3
InChIKeyXJNGBMHZOVTBGS-UHFFFAOYSA-N
XLogP2.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-tert-butyl-2,2-diethyl-1-prop-2-enylpiperazine
CID 64843213
1-(cyclopentylmethyl)-2,2,5-triethylpiperazine
CID 64841400
1-[(E)-but-2-enyl]-2,2-diethyl-5-(2-methylpropyl)piperazine
CID 107897984
2,2,5-triethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64843727
2,2-diethyl-5-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine
CID 64847994
2,2,5-triethyl-1-[(4-methoxyphenyl)methyl]piperazine
CID 64842179
1-[(3,4-dimethylphenyl)methyl]-2,2,5-triethylpiperazine
CID 64843731
1-[(5-chloro-2-fluorophenyl)methyl]-2,2,5-triethylpiperazine
CID 103050786
2,2,5-triethyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64841398
2,2,5-triethyl-1-[3-(oxolan-2-yl)propyl]piperazine
CID 65170182
1-(cyclopropylmethyl)-2,2-diethyl-5-propylpiperazine
CID 64840755
2,2-diethyl-1-(3-methoxypropyl)-5-(2-methylpropyl)piperazine
CID 64849149

Frequently Asked Questions

What is the IUPAC name of 2,2,5-triethyl-1-prop-2-enylpiperazine?
The IUPAC name of 2,2,5-triethyl-1-prop-2-enylpiperazine (CID 64842758) is 2,2,5-triethyl-1-prop-2-enylpiperazine.
What is the SMILES notation for 2,2,5-triethyl-1-prop-2-enylpiperazine?
The canonical SMILES for 2,2,5-triethyl-1-prop-2-enylpiperazine is C=CCN1CC(CC)NCC1(CC)CC.
What is the InChIKey of 2,2,5-triethyl-1-prop-2-enylpiperazine?
The InChIKey is XJNGBMHZOVTBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-5-9-15-10-12(6-2)14-11-13(15,7-3)8-4/h5,12,14H,1,6-11H2,2-4H3.
What are the key properties of 2,2,5-triethyl-1-prop-2-enylpiperazine?
2,2,5-triethyl-1-prop-2-enylpiperazine has a molecular weight of 210.36 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-triethyl-1-prop-2-enylpiperazine is sourced from PubChem (CID 64842758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).