1-[(R)-cyclopentyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine

C17H22F4N2 — CID 171171716

IUPAC1-[(R)-cyclopentyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFc1cc([C@@H](C2CCCC2)N2CCNCC2)ccc1C(F)(F)F
InChIInChI=1S/C17H22F4N2/c18-15-11-13(5-6-14(15)17(19,20)21)16(12-3-1-2-4-12)23-9-7-22-8-10-23/h5-6,11-12,16,22H,1-4,7-10H2/t16-/m1/s1
InChIKeyRWHLMFRKJXVADF-MRXNPFEDSA-N
MW330.37 g/mol
LogP3.98
Rot. Bonds3

About 1-[(R)-cyclopentyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine

1-[(R)-cyclopentyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 171171716) has the molecular formula C17H22F4N2 and a molecular weight of 330.37 g/mol. Its IUPAC name is 1-[(R)-cyclopentyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-cyclopentyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID171171716
Molecular FormulaC17H22F4N2
Molecular Weight330.37 g/mol
Exact Mass330.17
IUPAC Name1-[(R)-cyclopentyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFc1cc([C@@H](C2CCCC2)N2CCNCC2)ccc1C(F)(F)F
InChIInChI=1S/C17H22F4N2/c18-15-11-13(5-6-14(15)17(19,20)21)16(12-3-1-2-4-12)23-9-7-22-8-10-23/h5-6,11-12,16,22H,1-4,7-10H2/t16-/m1/s1
InChIKeyRWHLMFRKJXVADF-MRXNPFEDSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-cyclohexyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171280105
1-[(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methyl]piperazine
CID 171292729
1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine
CID 95483787
1-[(S)-cyclobutyl-(3,4-difluorophenyl)methyl]piperazine
CID 95471659
1-[(S)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethyl]piperazine
CID 171180022
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-fluorophenol;hydrochloride
CID 171168177
1-[(R)-(3-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171168696
1-[(R)-cyclopentyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171292518
1-[(S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine
CID 171165357
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

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopentyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[(R)-cyclopentyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine (CID 171171716) is 1-[(R)-cyclopentyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(R)-cyclopentyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(R)-cyclopentyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine is Fc1cc([C@@H](C2CCCC2)N2CCNCC2)ccc1C(F)(F)F.
What is the InChIKey of 1-[(R)-cyclopentyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is RWHLMFRKJXVADF-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22F4N2/c18-15-11-13(5-6-14(15)17(19,20)21)16(12-3-1-2-4-12)23-9-7-22-8-10-23/h5-6,11-12,16,22H,1-4,7-10H2/t16-/m1/s1.
What are the key properties of 1-[(R)-cyclopentyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine?
1-[(R)-cyclopentyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 330.37 g/mol, XLogP of 3.98, 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-4-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 171171716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).