1-[(R)-cyclopentyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride

C17H24Cl2F4N2 — CID 171291687

IUPAC1-[(R)-cyclopentyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1cc(C(F)(F)F)ccc1[C@@H](C1CCCC1)N1CCNCC1
InChIInChI=1S/C17H22F4N2.2ClH/c18-15-11-13(17(19,20)21)5-6-14(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
InChIKeyKGBVKFPMZVDQTO-GGMCWBHBSA-N
MW403.29 g/mol
LogP4.82
Rot. Bonds3

About 1-[(R)-cyclopentyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride

1-[(R)-cyclopentyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride (PubChem CID 171291687) has the molecular formula C17H24Cl2F4N2 and a molecular weight of 403.29 g/mol. Its IUPAC name is 1-[(R)-cyclopentyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-cyclopentyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
PubChem CID171291687
Molecular FormulaC17H24Cl2F4N2
Molecular Weight403.29 g/mol
Exact Mass402.13
IUPAC Name1-[(R)-cyclopentyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1cc(C(F)(F)F)ccc1[C@@H](C1CCCC1)N1CCNCC1
InChIInChI=1S/C17H22F4N2.2ClH/c18-15-11-13(17(19,20)21)5-6-14(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
InChIKeyKGBVKFPMZVDQTO-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-[(R)-cyclopentyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171170667
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-[(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;dihydrochloride
CID 171280552
1-[(S)-cyclobutyl-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine
CID 171180538
1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine;dihydrochloride
CID 171292778
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-[(S)-cyclohexyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171167987
4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol;hydrochloride
CID 171162966
1-[(R)-(4-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171288703
4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol;dihydrochloride
CID 171273291

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopentyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-cyclopentyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride (CID 171291687) is 1-[(R)-cyclopentyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-cyclopentyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-cyclopentyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride is Cl.Cl.Fc1cc(C(F)(F)F)ccc1[C@@H](C1CCCC1)N1CCNCC1.
What is the InChIKey of 1-[(R)-cyclopentyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride?
The InChIKey is KGBVKFPMZVDQTO-GGMCWBHBSA-N. The full InChI is InChI=1S/C17H22F4N2.2ClH/c18-15-11-13(17(19,20)21)5-6-14(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)-cyclopentyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride?
1-[(R)-cyclopentyl-[2-fluoro-4-(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-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171291687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).