1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride

C13H18Cl3F3N2 — CID 171292767

IUPAC1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
SMILESC[C@H](c1cc(C(F)(F)F)ccc1Cl)N1CCNCC1.Cl.Cl
InChIInChI=1S/C13H16ClF3N2.2ClH/c1-9(19-6-4-18-5-7-19)11-8-10(13(15,16)17)2-3-12(11)14;;/h2-3,8-9,18H,4-7H2,1H3;2*1H/t9-;;/m1../s1
InChIKeyDIQZVAHIWMYWPR-KLQYNRQASA-N
MW365.65 g/mol
LogP4.17
Rot. Bonds2

About 1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride

1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride (PubChem CID 171292767) has the molecular formula C13H18Cl3F3N2 and a molecular weight of 365.65 g/mol. Its IUPAC name is 1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
PubChem CID171292767
Molecular FormulaC13H18Cl3F3N2
Molecular Weight365.65 g/mol
Exact Mass364.05
IUPAC Name1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
SMILESC[C@H](c1cc(C(F)(F)F)ccc1Cl)N1CCNCC1.Cl.Cl
InChIInChI=1S/C13H16ClF3N2.2ClH/c1-9(19-6-4-18-5-7-19)11-8-10(13(15,16)17)2-3-12(11)14;;/h2-3,8-9,18H,4-7H2,1H3;2*1H/t9-;;/m1../s1
InChIKeyDIQZVAHIWMYWPR-KLQYNRQASA-N
XLogP4.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.65
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-bromo-5-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171170551
1-[(1R)-1-(2-chloro-5-fluorophenyl)ethyl]piperazine;hydrochloride
CID 171169904
1-[(1S)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 171279937
1-[(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171165372
1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171166814
1-[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride
CID 171166433
1-[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride
CID 171166477
1-[(1R)-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 171296986
1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride
CID 171177157
1-[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride
CID 171309341

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride (CID 171292767) is 1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride is C[C@H](c1cc(C(F)(F)F)ccc1Cl)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride?
The InChIKey is DIQZVAHIWMYWPR-KLQYNRQASA-N. The full InChI is InChI=1S/C13H16ClF3N2.2ClH/c1-9(19-6-4-18-5-7-19)11-8-10(13(15,16)17)2-3-12(11)14;;/h2-3,8-9,18H,4-7H2,1H3;2*1H/t9-;;/m1../s1.
What are the key properties of 1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride?
1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride has a molecular weight of 365.65 g/mol, XLogP of 4.17, 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-chloro-5-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171292767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).