2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol

C14H19F3N2O — CID 61054698

IUPAC2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol
SMILESCC(CO)(c1ccccc1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C14H19F3N2O/c1-13(10-20,19-8-6-18-7-9-19)11-4-2-3-5-12(11)14(15,16)17/h2-5,18,20H,6-10H2,1H3
InChIKeyFSAFIDIVGVQHCK-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.82
Rot. Bonds3

About 2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol

2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 61054698) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID61054698
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol
SMILESCC(CO)(c1ccccc1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C14H19F3N2O/c1-13(10-20,19-8-6-18-7-9-19)11-4-2-3-5-12(11)14(15,16)17/h2-5,18,20H,6-10H2,1H3
InChIKeyFSAFIDIVGVQHCK-UHFFFAOYSA-N
XLogP1.82
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dichlorophenyl)-2-piperazin-1-ylpropan-1-ol
CID 114079755
2-(1,4-diazepan-1-yl)-2-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 61048628
2-(2,5-dimethylphenyl)-2-piperazin-1-ylpropan-1-ol
CID 61055498
2-(2-chlorophenyl)-2-piperidin-1-ylpropan-1-ol
CID 54776185
2-methyl-2-piperazin-1-yl-3-[2-(trifluoromethyl)phenyl]propanenitrile
CID 84751999
2-piperazin-1-yl-2-pyridin-3-ylpropan-1-ol
CID 61053881
(3R)-3-[2-fluoro-6-(trifluoromethyl)phenyl]-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171176691
(3R)-3-[2-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol
CID 171178289
(2S)-2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol
CID 171173695
2-(4-chlorophenyl)-2-(1,4-diazepan-1-yl)propan-1-ol
CID 61049034
2-(1,4-diazepan-1-yl)-2-pyridin-4-ylpropan-1-ol
CID 61047834
ethyl 2-(2-fluorophenyl)-2-piperazin-1-ylpropanoate
CID 61002272

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol (CID 61054698) is 2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol is CC(CO)(c1ccccc1C(F)(F)F)N1CCNCC1.
What is the InChIKey of 2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is FSAFIDIVGVQHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-13(10-20,19-8-6-18-7-9-19)11-4-2-3-5-12(11)14(15,16)17/h2-5,18,20H,6-10H2,1H3.
What are the key properties of 2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol?
2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 288.31 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 61054698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).