3-butan-2-yl-1-[1-(2,4-dichlorophenyl)ethyl]piperazine

C16H24Cl2N2 — CID 64924861

IUPAC3-butan-2-yl-1-[1-(2,4-dichlorophenyl)ethyl]piperazine
SMILESCCC(C)C1CN(C(C)c2ccc(Cl)cc2Cl)CCN1
InChIInChI=1S/C16H24Cl2N2/c1-4-11(2)16-10-20(8-7-19-16)12(3)14-6-5-13(17)9-15(14)18/h5-6,9,11-12,16,19H,4,7-8,10H2,1-3H3
InChIKeyXLENFHFEYKFXSA-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.37
Rot. Bonds4

About 3-butan-2-yl-1-[1-(2,4-dichlorophenyl)ethyl]piperazine

3-butan-2-yl-1-[1-(2,4-dichlorophenyl)ethyl]piperazine (PubChem CID 64924861) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 3-butan-2-yl-1-[1-(2,4-dichlorophenyl)ethyl]piperazine.

Molecular Properties

Compound Name3-butan-2-yl-1-[1-(2,4-dichlorophenyl)ethyl]piperazine
PubChem CID64924861
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC Name3-butan-2-yl-1-[1-(2,4-dichlorophenyl)ethyl]piperazine
SMILESCCC(C)C1CN(C(C)c2ccc(Cl)cc2Cl)CCN1
InChIInChI=1S/C16H24Cl2N2/c1-4-11(2)16-10-20(8-7-19-16)12(3)14-6-5-13(17)9-15(14)18/h5-6,9,11-12,16,19H,4,7-8,10H2,1-3H3
InChIKeyXLENFHFEYKFXSA-UHFFFAOYSA-N
XLogP4.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]piperazine
CID 64832896
3-butan-2-yl-1-[1-(3-chlorophenyl)ethyl]-1,4-diazepane
CID 64942482
3-butan-2-yl-1-[1-(2-fluorophenyl)ethyl]-1,4-diazepane
CID 64943840
1-[1-[1-(2,4-dichlorophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 112630096
3-butan-2-yl-1-[(4-chloro-2-fluorophenyl)methyl]piperazine
CID 114860303
3-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]-7-methyl-1,4-diazepane
CID 64871546
3-butan-2-yl-1-(3,5-dichlorophenyl)piperazine
CID 64926057
1-[1-(2,4-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 60861960
3-butan-2-yl-1-[1-(5-chlorothiophen-2-yl)ethyl]-1,4-diazepane
CID 64943819
1-(4-bromo-2-chlorophenyl)-3-butan-2-ylpiperazine
CID 64924314
N-[[1-[1-(2,4-dichlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 63240771
1-[(1S)-1-(2,4-dichlorophenyl)butyl]piperazine;dihydrochloride
CID 171281865

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-[1-(2,4-dichlorophenyl)ethyl]piperazine?
The IUPAC name of 3-butan-2-yl-1-[1-(2,4-dichlorophenyl)ethyl]piperazine (CID 64924861) is 3-butan-2-yl-1-[1-(2,4-dichlorophenyl)ethyl]piperazine.
What is the SMILES notation for 3-butan-2-yl-1-[1-(2,4-dichlorophenyl)ethyl]piperazine?
The canonical SMILES for 3-butan-2-yl-1-[1-(2,4-dichlorophenyl)ethyl]piperazine is CCC(C)C1CN(C(C)c2ccc(Cl)cc2Cl)CCN1.
What is the InChIKey of 3-butan-2-yl-1-[1-(2,4-dichlorophenyl)ethyl]piperazine?
The InChIKey is XLENFHFEYKFXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2/c1-4-11(2)16-10-20(8-7-19-16)12(3)14-6-5-13(17)9-15(14)18/h5-6,9,11-12,16,19H,4,7-8,10H2,1-3H3.
What are the key properties of 3-butan-2-yl-1-[1-(2,4-dichlorophenyl)ethyl]piperazine?
3-butan-2-yl-1-[1-(2,4-dichlorophenyl)ethyl]piperazine has a molecular weight of 315.29 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-[1-(2,4-dichlorophenyl)ethyl]piperazine is sourced from PubChem (CID 64924861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).