1-[(1S)-1-(2,3-dichlorophenyl)ethyl]piperazine;dihydrochloride

C12H18Cl4N2 — CID 171277279

IUPAC1-[(1S)-1-(2,3-dichlorophenyl)ethyl]piperazine;dihydrochloride
SMILESC[C@@H](c1cccc(Cl)c1Cl)N1CCNCC1.Cl.Cl
InChIInChI=1S/C12H16Cl2N2.2ClH/c1-9(16-7-5-15-6-8-16)10-3-2-4-11(13)12(10)14;;/h2-4,9,15H,5-8H2,1H3;2*1H/t9-;;/m0../s1
InChIKeyCMEXVHOTHBZCAF-WWPIYYJJSA-N
MW332.10 g/mol
LogP3.80
Rot. Bonds2

About 1-[(1S)-1-(2,3-dichlorophenyl)ethyl]piperazine;dihydrochloride

1-[(1S)-1-(2,3-dichlorophenyl)ethyl]piperazine;dihydrochloride (PubChem CID 171277279) has the molecular formula C12H18Cl4N2 and a molecular weight of 332.10 g/mol. Its IUPAC name is 1-[(1S)-1-(2,3-dichlorophenyl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(2,3-dichlorophenyl)ethyl]piperazine;dihydrochloride
PubChem CID171277279
Molecular FormulaC12H18Cl4N2
Molecular Weight332.10 g/mol
Exact Mass330.02
IUPAC Name1-[(1S)-1-(2,3-dichlorophenyl)ethyl]piperazine;dihydrochloride
SMILESC[C@@H](c1cccc(Cl)c1Cl)N1CCNCC1.Cl.Cl
InChIInChI=1S/C12H16Cl2N2.2ClH/c1-9(16-7-5-15-6-8-16)10-3-2-4-11(13)12(10)14;;/h2-4,9,15H,5-8H2,1H3;2*1H/t9-;;/m0../s1
InChIKeyCMEXVHOTHBZCAF-WWPIYYJJSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.10
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 171280041
1-[(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171289935
1-[(1S)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171277310
1-[(1R)-1-(2,3-dichlorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171277286
1-[(1R)-1-(2,3-dichlorophenyl)-4-methylpentyl]piperazine
CID 171310901
1-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]piperazine;hydrochloride
CID 171163132
1-[1-(2,3-dichlorophenyl)ethyl]-2,2-dimethylpiperazine
CID 114079692
1-[(1R)-1-(2,3,6-trichlorophenyl)ethyl]piperazine
CID 171294593
1-[(1S)-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171280303
1-[(1S)-1-(2,3-dichlorophenyl)hexyl]piperazine;dihydrochloride
CID 171309076
(3R)-3-(2,3-dichlorophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171190034
1-[(1S)-1-(2,3-dichlorophenyl)but-3-enyl]piperazine;dihydrochloride
CID 171277288

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,3-dichlorophenyl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(2,3-dichlorophenyl)ethyl]piperazine;dihydrochloride (CID 171277279) is 1-[(1S)-1-(2,3-dichlorophenyl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(2,3-dichlorophenyl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(2,3-dichlorophenyl)ethyl]piperazine;dihydrochloride is C[C@@H](c1cccc(Cl)c1Cl)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(2,3-dichlorophenyl)ethyl]piperazine;dihydrochloride?
The InChIKey is CMEXVHOTHBZCAF-WWPIYYJJSA-N. The full InChI is InChI=1S/C12H16Cl2N2.2ClH/c1-9(16-7-5-15-6-8-16)10-3-2-4-11(13)12(10)14;;/h2-4,9,15H,5-8H2,1H3;2*1H/t9-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(2,3-dichlorophenyl)ethyl]piperazine;dihydrochloride?
1-[(1S)-1-(2,3-dichlorophenyl)ethyl]piperazine;dihydrochloride has a molecular weight of 332.10 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,3-dichlorophenyl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171277279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).