1-[(R)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride

C17H23ClF4N2 — CID 171172374

IUPAC1-[(R)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
SMILESCl.Fc1cccc([C@@H](C2CCCC2)N2CCNCC2)c1C(F)(F)F
InChIInChI=1S/C17H22F4N2.ClH/c18-14-7-3-6-13(15(14)17(19,20)21)16(12-4-1-2-5-12)23-10-8-22-9-11-23;/h3,6-7,12,16,22H,1-2,4-5,8-11H2;1H/t16-;/m1./s1
InChIKeyKJIIQCQXYJPMQZ-PKLMIRHRSA-N
MW366.83 g/mol
LogP4.40
Rot. Bonds3

About 1-[(R)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride

1-[(R)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride (PubChem CID 171172374) has the molecular formula C17H23ClF4N2 and a molecular weight of 366.83 g/mol. Its IUPAC name is 1-[(R)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(R)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
PubChem CID171172374
Molecular FormulaC17H23ClF4N2
Molecular Weight366.83 g/mol
Exact Mass366.15
IUPAC Name1-[(R)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
SMILESCl.Fc1cccc([C@@H](C2CCCC2)N2CCNCC2)c1C(F)(F)F
InChIInChI=1S/C17H22F4N2.ClH/c18-14-7-3-6-13(15(14)17(19,20)21)16(12-4-1-2-5-12)23-10-8-22-9-11-23;/h3,6-7,12,16,22H,1-2,4-5,8-11H2;1H/t16-;/m1./s1
InChIKeyKJIIQCQXYJPMQZ-PKLMIRHRSA-N
XLogP4.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 171167021
1-[(R)-cyclobutyl-(2,3-difluorophenyl)methyl]piperazine;hydrochloride
CID 171175923
2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-fluorophenol;hydrochloride
CID 171175033
2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-fluorophenol
CID 171168242
2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-fluorophenol
CID 171175032
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-[(1R)-2-cyclopropyl-1-[3-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171172358
1-[(R)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171168899
1-[(R)-cyclopropyl-(2,3-difluorophenyl)methyl]piperazine
CID 171289598
1-[(R)-(3-bromo-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171289324
1-[(S)-cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 171166055

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(R)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride (CID 171172374) is 1-[(R)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(R)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(R)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride is Cl.Fc1cccc([C@@H](C2CCCC2)N2CCNCC2)c1C(F)(F)F.
What is the InChIKey of 1-[(R)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride?
The InChIKey is KJIIQCQXYJPMQZ-PKLMIRHRSA-N. The full InChI is InChI=1S/C17H22F4N2.ClH/c18-14-7-3-6-13(15(14)17(19,20)21)16(12-4-1-2-5-12)23-10-8-22-9-11-23;/h3,6-7,12,16,22H,1-2,4-5,8-11H2;1H/t16-;/m1./s1.
What are the key properties of 1-[(R)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride?
1-[(R)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride has a molecular weight of 366.83 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride is sourced from PubChem (CID 171172374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).