1-[1-(2,4-dichlorophenyl)propan-2-yl]piperazine

C13H18Cl2N2 — CID 82255584

IUPAC1-[1-(2,4-dichlorophenyl)propan-2-yl]piperazine
SMILESCC(Cc1ccc(Cl)cc1Cl)N1CCNCC1
InChIInChI=1S/C13H18Cl2N2/c1-10(17-6-4-16-5-7-17)8-11-2-3-12(14)9-13(11)15/h2-3,9-10,16H,4-8H2,1H3
InChIKeyXZQBXOOMOYVPAK-UHFFFAOYSA-N
MW273.21 g/mol
LogP2.83
Rot. Bonds3

About 1-[1-(2,4-dichlorophenyl)propan-2-yl]piperazine

1-[1-(2,4-dichlorophenyl)propan-2-yl]piperazine (PubChem CID 82255584) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)propan-2-yl]piperazine.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)propan-2-yl]piperazine
PubChem CID82255584
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name1-[1-(2,4-dichlorophenyl)propan-2-yl]piperazine
SMILESCC(Cc1ccc(Cl)cc1Cl)N1CCNCC1
InChIInChI=1S/C13H18Cl2N2/c1-10(17-6-4-16-5-7-17)8-11-2-3-12(14)9-13(11)15/h2-3,9-10,16H,4-8H2,1H3
InChIKeyXZQBXOOMOYVPAK-UHFFFAOYSA-N
XLogP2.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2,5-dimethylphenyl)propan-2-yl]piperazine
CID 82289927
3-(2,4-dichlorophenyl)-2-methyl-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119473217
1-[bis(2,4-dichlorophenyl)methyl]piperazine
CID 3373425
2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone
CID 14964763
1-[1-(2-methoxy-4,5-dimethylphenyl)propan-2-yl]piperazine
CID 82302972
1-[4-(2-chlorophenyl)butan-2-yl]piperazine
CID 82044743
3-(4-chloro-2-methoxyphenyl)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 142918406
3-(2,4-dichlorophenyl)-2-methyl-N-piperidin-4-ylpropanamide
CID 119389948
1-[(1S)-1-(2,4-dichlorophenyl)butyl]piperazine;dihydrochloride
CID 171281865
1-[(1S)-1-(2,5-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171275949
3-(2,4-dichlorophenyl)-1-piperazin-1-ylpropan-1-one
CID 82134878
1-[1-(5-tert-butyl-2-methoxyphenyl)propan-2-yl]piperazine
CID 82255612

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)propan-2-yl]piperazine?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)propan-2-yl]piperazine (CID 82255584) is 1-[1-(2,4-dichlorophenyl)propan-2-yl]piperazine.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)propan-2-yl]piperazine?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)propan-2-yl]piperazine is CC(Cc1ccc(Cl)cc1Cl)N1CCNCC1.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)propan-2-yl]piperazine?
The InChIKey is XZQBXOOMOYVPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c1-10(17-6-4-16-5-7-17)8-11-2-3-12(14)9-13(11)15/h2-3,9-10,16H,4-8H2,1H3.
What are the key properties of 1-[1-(2,4-dichlorophenyl)propan-2-yl]piperazine?
1-[1-(2,4-dichlorophenyl)propan-2-yl]piperazine has a molecular weight of 273.21 g/mol, XLogP of 2.83, 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)propan-2-yl]piperazine is sourced from PubChem (CID 82255584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).