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

C15H25Cl3N2 — CID 171286243

IUPAC1-[(1R)-1-(3-chlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
SMILESCC(C)(C)[C@H](c1cccc(Cl)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H23ClN2.2ClH/c1-15(2,3)14(18-9-7-17-8-10-18)12-5-4-6-13(16)11-12;;/h4-6,11,14,17H,7-10H2,1-3H3;2*1H/t14-;;/m0../s1
InChIKeySGMYHYUZIWNYQW-UTLKBRERSA-N
MW339.74 g/mol
LogP4.18
Rot. Bonds2

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

1-[(1R)-1-(3-chlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride (PubChem CID 171286243) has the molecular formula C15H25Cl3N2 and a molecular weight of 339.74 g/mol. Its IUPAC name is 1-[(1R)-1-(3-chlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(3-chlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
PubChem CID171286243
Molecular FormulaC15H25Cl3N2
Molecular Weight339.74 g/mol
Exact Mass338.11
IUPAC Name1-[(1R)-1-(3-chlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
SMILESCC(C)(C)[C@H](c1cccc(Cl)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H23ClN2.2ClH/c1-15(2,3)14(18-9-7-17-8-10-18)12-5-4-6-13(16)11-12;;/h4-6,11,14,17H,7-10H2,1-3H3;2*1H/t14-;;/m0../s1
InChIKeySGMYHYUZIWNYQW-UTLKBRERSA-N
XLogP4.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.74
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(3,5-dichlorophenyl)-2,2-dimethylpropyl]piperazine
CID 171288417
1-[(1S)-1-(3-bromophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171273335
3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol
CID 171272827
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-[3-chloro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171296146
1-[(1R)-1-(3-chlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171286241
1-[(1R)-1-(3-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171286216
1-[(1S)-2,2-dimethyl-1-pyridin-3-ylpropyl]piperazine;dihydrochloride
CID 171275055
1-[1-(3-chlorophenyl)ethyl]-1,4-diazepane
CID 5105220
1-[(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171280114
1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine
CID 171165458

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-chlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(3-chlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride (CID 171286243) is 1-[(1R)-1-(3-chlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(3-chlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(3-chlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride is CC(C)(C)[C@H](c1cccc(Cl)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(3-chlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride?
The InChIKey is SGMYHYUZIWNYQW-UTLKBRERSA-N. The full InChI is InChI=1S/C15H23ClN2.2ClH/c1-15(2,3)14(18-9-7-17-8-10-18)12-5-4-6-13(16)11-12;;/h4-6,11,14,17H,7-10H2,1-3H3;2*1H/t14-;;/m0../s1.
What are the key properties of 1-[(1R)-1-(3-chlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride?
1-[(1R)-1-(3-chlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride has a molecular weight of 339.74 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-chlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride is sourced from PubChem (CID 171286243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).