1-[(1S)-1-(9H-fluoren-2-yl)-3,3,3-trifluoropropyl]piperazine;hydrochloride

C20H22ClF3N2 — CID 171167242

IUPAC1-[(1S)-1-(9H-fluoren-2-yl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)C[C@@H](c1ccc2c(c1)Cc1ccccc1-2)N1CCNCC1
InChIInChI=1S/C20H21F3N2.ClH/c21-20(22,23)13-19(25-9-7-24-8-10-25)15-5-6-18-16(12-15)11-14-3-1-2-4-17(14)18;/h1-6,12,19,24H,7-11,13H2;1H/t19-;/m0./s1
InChIKeyYYEXZAMERVFUSO-FYZYNONXSA-N
MW382.86 g/mol
LogP4.58
Rot. Bonds3

About 1-[(1S)-1-(9H-fluoren-2-yl)-3,3,3-trifluoropropyl]piperazine;hydrochloride

1-[(1S)-1-(9H-fluoren-2-yl)-3,3,3-trifluoropropyl]piperazine;hydrochloride (PubChem CID 171167242) has the molecular formula C20H22ClF3N2 and a molecular weight of 382.86 g/mol. Its IUPAC name is 1-[(1S)-1-(9H-fluoren-2-yl)-3,3,3-trifluoropropyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(9H-fluoren-2-yl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
PubChem CID171167242
Molecular FormulaC20H22ClF3N2
Molecular Weight382.86 g/mol
Exact Mass382.14
IUPAC Name1-[(1S)-1-(9H-fluoren-2-yl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)C[C@@H](c1ccc2c(c1)Cc1ccccc1-2)N1CCNCC1
InChIInChI=1S/C20H21F3N2.ClH/c21-20(22,23)13-19(25-9-7-24-8-10-25)15-5-6-18-16(12-15)11-14-3-1-2-4-17(14)18;/h1-6,12,19,24H,7-11,13H2;1H/t19-;/m0./s1
InChIKeyYYEXZAMERVFUSO-FYZYNONXSA-N
XLogP4.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1S)-1-(9H-fluoren-2-yl)-3,3,3-trifluoropropyl]piperazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171172658
1-[(1S)-1-(9H-fluoren-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171295162
(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)-3,3,3-trifluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172722
1-[(1R)-1-(9H-fluoren-2-yl)hexyl]piperazine
CID 171308299
1-[(1R)-3,3,3-trifluoro-1-(4-iodophenyl)propyl]piperazine;dihydrochloride
CID 171303530
1-[(1S)-3,3,3-trifluoro-1-(3-methylphenyl)propyl]piperazine
CID 171166539
1-[(1S)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171163089
1-[(1S)-3,3,3-trifluoro-1-pyridin-4-ylpropyl]piperazine;dihydrochloride
CID 171302429
1-[(R)-cyclohexyl(9H-fluoren-2-yl)methyl]piperazine;dihydrochloride
CID 171295175
1-[(1S)-3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)propyl]piperazine;dihydrochloride
CID 171303090

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(9H-fluoren-2-yl)-3,3,3-trifluoropropyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-1-(9H-fluoren-2-yl)-3,3,3-trifluoropropyl]piperazine;hydrochloride (CID 171167242) is 1-[(1S)-1-(9H-fluoren-2-yl)-3,3,3-trifluoropropyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-1-(9H-fluoren-2-yl)-3,3,3-trifluoropropyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-1-(9H-fluoren-2-yl)-3,3,3-trifluoropropyl]piperazine;hydrochloride is Cl.FC(F)(F)C[C@@H](c1ccc2c(c1)Cc1ccccc1-2)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(9H-fluoren-2-yl)-3,3,3-trifluoropropyl]piperazine;hydrochloride?
The InChIKey is YYEXZAMERVFUSO-FYZYNONXSA-N. The full InChI is InChI=1S/C20H21F3N2.ClH/c21-20(22,23)13-19(25-9-7-24-8-10-25)15-5-6-18-16(12-15)11-14-3-1-2-4-17(14)18;/h1-6,12,19,24H,7-11,13H2;1H/t19-;/m0./s1.
What are the key properties of 1-[(1S)-1-(9H-fluoren-2-yl)-3,3,3-trifluoropropyl]piperazine;hydrochloride?
1-[(1S)-1-(9H-fluoren-2-yl)-3,3,3-trifluoropropyl]piperazine;hydrochloride has a molecular weight of 382.86 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(9H-fluoren-2-yl)-3,3,3-trifluoropropyl]piperazine;hydrochloride is sourced from PubChem (CID 171167242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).