1-[(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride

C15H24Cl4N2 — CID 171289935

IUPAC1-[(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
SMILESCC(C)(C)[C@H](c1cccc(Cl)c1Cl)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H22Cl2N2.2ClH/c1-15(2,3)14(19-9-7-18-8-10-19)11-5-4-6-12(16)13(11)17;;/h4-6,14,18H,7-10H2,1-3H3;2*1H/t14-;;/m0../s1
InChIKeyOIXZODVOOCUHDY-UTLKBRERSA-N
MW374.18 g/mol
LogP4.83
Rot. Bonds2

About 1-[(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride

1-[(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride (PubChem CID 171289935) has the molecular formula C15H24Cl4N2 and a molecular weight of 374.18 g/mol. Its IUPAC name is 1-[(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
PubChem CID171289935
Molecular FormulaC15H24Cl4N2
Molecular Weight374.18 g/mol
Exact Mass372.07
IUPAC Name1-[(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
SMILESCC(C)(C)[C@H](c1cccc(Cl)c1Cl)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H22Cl2N2.2ClH/c1-15(2,3)14(19-9-7-18-8-10-19)11-5-4-6-12(16)13(11)17;;/h4-6,14,18H,7-10H2,1-3H3;2*1H/t14-;;/m0../s1
InChIKeyOIXZODVOOCUHDY-UTLKBRERSA-N
XLogP4.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.18
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171277310
(3R)-3-(2,3-dichlorophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171190034
1-[(1S)-1-(2,3-dichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171277279
1-[(1R)-2,2-dimethyl-1-(2,3,5-trichlorophenyl)propyl]piperazine;dihydrochloride
CID 171295326
1-[(1R)-2,2-dimethyl-1-(2,3,6-trichlorophenyl)propyl]piperazine;dihydrochloride
CID 171294626
1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171273226
1-[(1S)-1-(2-chloro-6-fluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171274073
1-[(1R)-1-(3-chlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171286243
1-[(1R)-2,2-dimethyl-1-[2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171170430
1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171292788
1-[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171280166
1-[(1R)-1-(2,3-dichlorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171277286

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride (CID 171289935) is 1-[(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride is CC(C)(C)[C@H](c1cccc(Cl)c1Cl)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride?
The InChIKey is OIXZODVOOCUHDY-UTLKBRERSA-N. The full InChI is InChI=1S/C15H22Cl2N2.2ClH/c1-15(2,3)14(19-9-7-18-8-10-19)11-5-4-6-12(16)13(11)17;;/h4-6,14,18H,7-10H2,1-3H3;2*1H/t14-;;/m0../s1.
What are the key properties of 1-[(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride?
1-[(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride has a molecular weight of 374.18 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride is sourced from PubChem (CID 171289935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).