1-[(R)-cyclopentyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride

C17H24Cl2F4N2 — CID 171292518

IUPAC1-[(R)-cyclopentyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc(C(F)(F)F)c([C@@H](C2CCCC2)N2CCNCC2)c1
InChIInChI=1S/C17H22F4N2.2ClH/c18-13-5-6-15(17(19,20)21)14(11-13)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
InChIKeyQASLNYGCRNTEFQ-GGMCWBHBSA-N
MW403.29 g/mol
LogP4.82
Rot. Bonds3

About 1-[(R)-cyclopentyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride

1-[(R)-cyclopentyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride (PubChem CID 171292518) has the molecular formula C17H24Cl2F4N2 and a molecular weight of 403.29 g/mol. Its IUPAC name is 1-[(R)-cyclopentyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-cyclopentyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
PubChem CID171292518
Molecular FormulaC17H24Cl2F4N2
Molecular Weight403.29 g/mol
Exact Mass402.13
IUPAC Name1-[(R)-cyclopentyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc(C(F)(F)F)c([C@@H](C2CCCC2)N2CCNCC2)c1
InChIInChI=1S/C17H22F4N2.2ClH/c18-13-5-6-15(17(19,20)21)14(11-13)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
InChIKeyQASLNYGCRNTEFQ-GGMCWBHBSA-N
XLogP4.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.29
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-cyclohexyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171166052
1-[(R)-cyclohexyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171171421
1-[(S)-cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 171166055
1-[(R)-cyclobutyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride
CID 171289675
1-[(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171164593
2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-4-fluorophenol;hydrochloride
CID 171168246
1-[(R)-(2-bromo-5-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171288497
1-[(R)-(2-bromo-5-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171169175
1-[(S)-(2-chloro-5-fluorophenyl)-cyclohexylmethyl]piperazine
CID 171164473
1-[(S)-cyclobutyl-(5-fluoro-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171277175
1-[(S)-cyclohexyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171280105
1-[(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;dihydrochloride
CID 171280552

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopentyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-cyclopentyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride (CID 171292518) is 1-[(R)-cyclopentyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-cyclopentyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-cyclopentyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride is Cl.Cl.Fc1ccc(C(F)(F)F)c([C@@H](C2CCCC2)N2CCNCC2)c1.
What is the InChIKey of 1-[(R)-cyclopentyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride?
The InChIKey is QASLNYGCRNTEFQ-GGMCWBHBSA-N. The full InChI is InChI=1S/C17H22F4N2.2ClH/c18-13-5-6-15(17(19,20)21)14(11-13)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)-cyclopentyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride?
1-[(R)-cyclopentyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride has a molecular weight of 403.29 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopentyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171292518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).