1-[(1R)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutyl]piperazine;hydrochloride

C21H24ClF3N2 — CID 171172658

IUPAC1-[(1R)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)CC[C@H](c1ccc2c(c1)Cc1ccccc1-2)N1CCNCC1
InChIInChI=1S/C21H23F3N2.ClH/c22-21(23,24)8-7-20(26-11-9-25-10-12-26)16-5-6-19-17(14-16)13-15-3-1-2-4-18(15)19;/h1-6,14,20,25H,7-13H2;1H/t20-;/m1./s1
InChIKeyKOIDAXRURLYUDL-VEIFNGETSA-N
MW396.88 g/mol
LogP4.97
Rot. Bonds4

About 1-[(1R)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutyl]piperazine;hydrochloride

1-[(1R)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutyl]piperazine;hydrochloride (PubChem CID 171172658) has the molecular formula C21H24ClF3N2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 1-[(1R)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
PubChem CID171172658
Molecular FormulaC21H24ClF3N2
Molecular Weight396.88 g/mol
Exact Mass396.16
IUPAC Name1-[(1R)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)CC[C@H](c1ccc2c(c1)Cc1ccccc1-2)N1CCNCC1
InChIInChI=1S/C21H23F3N2.ClH/c22-21(23,24)8-7-20(26-11-9-25-10-12-26)16-5-6-19-17(14-16)13-15-3-1-2-4-18(15)19;/h1-6,14,20,25H,7-13H2;1H/t20-;/m1./s1
InChIKeyKOIDAXRURLYUDL-VEIFNGETSA-N
XLogP4.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(9H-fluoren-2-yl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171167242
1-[(1S)-1-(9H-fluoren-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171295162
1-[(1R)-1-(9H-fluoren-2-yl)hexyl]piperazine
CID 171308299
(3S)-3-(9H-fluoren-2-yl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306357
1-[(1S)-2-cyclopropyl-1-(9H-fluoren-2-yl)ethyl]piperazine
CID 171282564
1-[(1R)-4,4,4-trifluoro-1-naphthalen-2-ylbutyl]piperazine;hydrochloride
CID 171168796
1-[(1S)-4,4,4-trifluoro-1-(4-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171302367
1-[(1R)-4,4,4-trifluoro-1-(3-iodophenyl)butyl]piperazine;dihydrochloride
CID 171303909
1-[(1S)-1-(3,4-dibromophenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303163
1-[(1S)-4,4,4-trifluoro-1-[4-(trifluoromethyl)phenyl]butyl]piperazine
CID 171162914
1-[(1S)-4,4,4-trifluoro-1-(4-iodophenyl)butyl]piperazine;hydrochloride
CID 171163757
1-[(1S)-4,4,4-trifluoro-1-(4-phenoxyphenyl)butyl]piperazine
CID 171165897

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutyl]piperazine;hydrochloride (CID 171172658) is 1-[(1R)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutyl]piperazine;hydrochloride is Cl.FC(F)(F)CC[C@H](c1ccc2c(c1)Cc1ccccc1-2)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutyl]piperazine;hydrochloride?
The InChIKey is KOIDAXRURLYUDL-VEIFNGETSA-N. The full InChI is InChI=1S/C21H23F3N2.ClH/c22-21(23,24)8-7-20(26-11-9-25-10-12-26)16-5-6-19-17(14-16)13-15-3-1-2-4-18(15)19;/h1-6,14,20,25H,7-13H2;1H/t20-;/m1./s1.
What are the key properties of 1-[(1R)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutyl]piperazine;hydrochloride?
1-[(1R)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutyl]piperazine;hydrochloride has a molecular weight of 396.88 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutyl]piperazine;hydrochloride is sourced from PubChem (CID 171172658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).