2-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-5,5-diethylpiperazine

C15H29ClN2 — CID 107901805

IUPAC2-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-5,5-diethylpiperazine
SMILESCCC(C)C1CNC(CC)(CC)CN1C/C=C/Cl
InChIInChI=1S/C15H29ClN2/c1-5-13(4)14-11-17-15(6-2,7-3)12-18(14)10-8-9-16/h8-9,13-14,17H,5-7,10-12H2,1-4H3/b9-8+
InChIKeyBITKVGQIJKATKI-CMDGGOBGSA-N
MW272.86 g/mol
LogP3.62
Rot. Bonds6

About 2-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-5,5-diethylpiperazine

2-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-5,5-diethylpiperazine (PubChem CID 107901805) has the molecular formula C15H29ClN2 and a molecular weight of 272.86 g/mol. Its IUPAC name is 2-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-5,5-diethylpiperazine.

Molecular Properties

Compound Name2-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-5,5-diethylpiperazine
PubChem CID107901805
Molecular FormulaC15H29ClN2
Molecular Weight272.86 g/mol
Exact Mass272.20
IUPAC Name2-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-5,5-diethylpiperazine
SMILESCCC(C)C1CNC(CC)(CC)CN1C/C=C/Cl
InChIInChI=1S/C15H29ClN2/c1-5-13(4)14-11-17-15(6-2,7-3)12-18(14)10-8-9-16/h8-9,13-14,17H,5-7,10-12H2,1-4H3/b9-8+
InChIKeyBITKVGQIJKATKI-CMDGGOBGSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.86
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butan-2-yl-4-[(E)-3-chloroprop-2-enyl]-1,4-diazaspiro[5.5]undecane
CID 107901725
2-butan-2-yl-5,5-diethyl-1-(3-methylbut-2-enyl)piperazine
CID 107901804
2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine
CID 64861206
2-butan-2-yl-5,5-diethyl-1-(4,4,4-trifluorobutyl)piperazine
CID 115519095
2-butan-2-yl-5,5-diethyl-1-(3-methoxy-3-methylbutyl)piperazine
CID 103016623
5-[(2-butan-2-yl-5,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 115979603
5-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-2-propan-2-ylpiperazine
CID 107901638
1-[(E)-but-2-enyl]-5,5-diethyl-2-(2-methylpropyl)piperazine
CID 114013955
1-[(E)-3-chloroprop-2-enyl]-2-cyclopropyl-5,5-diethyl-2-methylpiperazine
CID 114014141
1-[(E)-3-chloroprop-2-enyl]-2-ethyl-5,5-dimethylpiperazine
CID 107901496
2-butan-2-yl-5-ethyl-5-methyl-1-(2-methylpropyl)piperazine
CID 64847164
5,5-diethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64942397

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-5,5-diethylpiperazine?
The IUPAC name of 2-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-5,5-diethylpiperazine (CID 107901805) is 2-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-5,5-diethylpiperazine.
What is the SMILES notation for 2-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-5,5-diethylpiperazine?
The canonical SMILES for 2-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-5,5-diethylpiperazine is CCC(C)C1CNC(CC)(CC)CN1C/C=C/Cl.
What is the InChIKey of 2-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-5,5-diethylpiperazine?
The InChIKey is BITKVGQIJKATKI-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H29ClN2/c1-5-13(4)14-11-17-15(6-2,7-3)12-18(14)10-8-9-16/h8-9,13-14,17H,5-7,10-12H2,1-4H3/b9-8+.
What are the key properties of 2-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-5,5-diethylpiperazine?
2-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-5,5-diethylpiperazine has a molecular weight of 272.86 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-5,5-diethylpiperazine is sourced from PubChem (CID 107901805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).