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

C17H24Cl3F3N2 — CID 171292778

IUPAC1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)(F)c1ccc(Cl)c([C@@H](C2CCCC2)N2CCNCC2)c1
InChIInChI=1S/C17H22ClF3N2.2ClH/c18-15-6-5-13(17(19,20)21)11-14(15)16(12-3-1-2-4-12)23-9-7-22-8-10-23;;/h5-6,11-12,16,22H,1-4,7-10H2;2*1H/t16-;;/m1../s1
InChIKeyCHXVSOYAKWIHCO-GGMCWBHBSA-N
MW419.75 g/mol
LogP5.34
Rot. Bonds3

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

1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine;dihydrochloride (PubChem CID 171292778) has the molecular formula C17H24Cl3F3N2 and a molecular weight of 419.75 g/mol. Its IUPAC name is 1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine;dihydrochloride
PubChem CID171292778
Molecular FormulaC17H24Cl3F3N2
Molecular Weight419.75 g/mol
Exact Mass418.10
IUPAC Name1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)(F)c1ccc(Cl)c([C@@H](C2CCCC2)N2CCNCC2)c1
InChIInChI=1S/C17H22ClF3N2.2ClH/c18-15-6-5-13(17(19,20)21)11-14(15)16(12-3-1-2-4-12)23-9-7-22-8-10-23;;/h5-6,11-12,16,22H,1-4,7-10H2;2*1H/t16-;;/m1../s1
InChIKeyCHXVSOYAKWIHCO-GGMCWBHBSA-N
XLogP5.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.75
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;hydrochloride
CID 171171751
1-[(S)-[2-bromo-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;dihydrochloride
CID 171278973
1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171292751
1-[(R)-cyclopentyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171291687
1-[(R)-cyclopentyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171170667
1-[(S)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;hydrochloride
CID 171166217
1-[(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171164593
1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine
CID 171171472
1-[(R)-[2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethyl]piperazine;dihydrochloride
CID 171291596
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-4-(trifluoromethyl)phenol
CID 171299054
1-[(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;dihydrochloride
CID 171280552
1-[(S)-cyclobutyl-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine
CID 171180538

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine;dihydrochloride (CID 171292778) is 1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine;dihydrochloride is Cl.Cl.FC(F)(F)c1ccc(Cl)c([C@@H](C2CCCC2)N2CCNCC2)c1.
What is the InChIKey of 1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine;dihydrochloride?
The InChIKey is CHXVSOYAKWIHCO-GGMCWBHBSA-N. The full InChI is InChI=1S/C17H22ClF3N2.2ClH/c18-15-6-5-13(17(19,20)21)11-14(15)16(12-3-1-2-4-12)23-9-7-22-8-10-23;;/h5-6,11-12,16,22H,1-4,7-10H2;2*1H/t16-;;/m1../s1.
What are the key properties of 1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine;dihydrochloride?
1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine;dihydrochloride has a molecular weight of 419.75 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171292778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).