1-[1-(2,4-dichlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine

C16H24Cl2N2 — CID 64937506

IUPAC1-[1-(2,4-dichlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
SMILESCC1CN(C(C)c2ccc(Cl)cc2Cl)C(C(C)C)CN1
InChIInChI=1S/C16H24Cl2N2/c1-10(2)16-8-19-11(3)9-20(16)12(4)14-6-5-13(17)7-15(14)18/h5-7,10-12,16,19H,8-9H2,1-4H3
InChIKeyJWQULDLFTRAUPK-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.37
Rot. Bonds3

About 1-[1-(2,4-dichlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine

1-[1-(2,4-dichlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine (PubChem CID 64937506) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
PubChem CID64937506
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC Name1-[1-(2,4-dichlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
SMILESCC1CN(C(C)c2ccc(Cl)cc2Cl)C(C(C)C)CN1
InChIInChI=1S/C16H24Cl2N2/c1-10(2)16-8-19-11(3)9-20(16)12(4)14-6-5-13(17)7-15(14)18/h5-7,10-12,16,19H,8-9H2,1-4H3
InChIKeyJWQULDLFTRAUPK-UHFFFAOYSA-N
XLogP4.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

1-[1-(3-chlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
CID 64937944
1-[1-(2,4-dichlorophenyl)ethyl]-2,5-diethylpiperazine
CID 64934081
1-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
CID 64937367
1-(2-chlorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64937906
[1-[1-(2,4-dichlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80504427
5-methyl-1-(1-phenylpropan-2-yl)-2-propan-2-ylpiperazine
CID 64938383
1-(5-chloro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64938084
1-but-3-yn-2-yl-5-methyl-2-propan-2-ylpiperazine
CID 114420424
1-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64936447
1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 107370881
3-butan-2-yl-1-[1-(2,4-dichlorophenyl)ethyl]piperazine
CID 64924861
(3S)-1-(2,4-dichlorophenyl)-3-methylpiperazine
CID 24763526

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine (CID 64937506) is 1-[1-(2,4-dichlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine is CC1CN(C(C)c2ccc(Cl)cc2Cl)C(C(C)C)CN1.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is JWQULDLFTRAUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2/c1-10(2)16-8-19-11(3)9-20(16)12(4)14-6-5-13(17)7-15(14)18/h5-7,10-12,16,19H,8-9H2,1-4H3.
What are the key properties of 1-[1-(2,4-dichlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine?
1-[1-(2,4-dichlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 315.29 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64937506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).