1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;hydrochloride

C18H25Cl2F3N2 — CID 171171751

IUPAC1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(Cl)c([C@@H](C2CCCCC2)N2CCNCC2)c1
InChIInChI=1S/C18H24ClF3N2.ClH/c19-16-7-6-14(18(20,21)22)12-15(16)17(13-4-2-1-3-5-13)24-10-8-23-9-11-24;/h6-7,12-13,17,23H,1-5,8-11H2;1H/t17-;/m1./s1
InChIKeyKGWCDZKPMKVRCH-UNTBIKODSA-N
MW397.31 g/mol
LogP5.31
Rot. Bonds3

About 1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;hydrochloride

1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;hydrochloride (PubChem CID 171171751) has the molecular formula C18H25Cl2F3N2 and a molecular weight of 397.31 g/mol. Its IUPAC name is 1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;hydrochloride
PubChem CID171171751
Molecular FormulaC18H25Cl2F3N2
Molecular Weight397.31 g/mol
Exact Mass396.13
IUPAC Name1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(Cl)c([C@@H](C2CCCCC2)N2CCNCC2)c1
InChIInChI=1S/C18H24ClF3N2.ClH/c19-16-7-6-14(18(20,21)22)12-15(16)17(13-4-2-1-3-5-13)24-10-8-23-9-11-24;/h6-7,12-13,17,23H,1-5,8-11H2;1H/t17-;/m1./s1
InChIKeyKGWCDZKPMKVRCH-UNTBIKODSA-N
XLogP5.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.31
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine;dihydrochloride
CID 171292778
1-[(S)-[2-bromo-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;dihydrochloride
CID 171278973
1-[(S)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;hydrochloride
CID 171166217
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)-(2-chloro-5-fluorophenyl)-cyclohexylmethyl]piperazine
CID 171164473
1-[(R)-cyclohexyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171288565
1-[(S)-cyclohexyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine
CID 171165291
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)-(2-chloro-5-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171164593

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;hydrochloride (CID 171171751) is 1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;hydrochloride is Cl.FC(F)(F)c1ccc(Cl)c([C@@H](C2CCCCC2)N2CCNCC2)c1.
What is the InChIKey of 1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;hydrochloride?
The InChIKey is KGWCDZKPMKVRCH-UNTBIKODSA-N. The full InChI is InChI=1S/C18H24ClF3N2.ClH/c19-16-7-6-14(18(20,21)22)12-15(16)17(13-4-2-1-3-5-13)24-10-8-23-9-11-24;/h6-7,12-13,17,23H,1-5,8-11H2;1H/t17-;/m1./s1.
What are the key properties of 1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;hydrochloride?
1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;hydrochloride has a molecular weight of 397.31 g/mol, XLogP of 5.31, 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]-cyclohexylmethyl]piperazine;hydrochloride is sourced from PubChem (CID 171171751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).