2-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]ethanol

C13H17F3N2O — CID 4311567

IUPAC2-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(CN1CCNCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)11-3-1-10(2-4-11)12(19)9-18-7-5-17-6-8-18/h1-4,12,17,19H,5-9H2
InChIKeyLCVJHTWWEKWPER-UHFFFAOYSA-N
MW274.29 g/mol
LogP1.64
Rot. Bonds3

About 2-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]ethanol

2-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 4311567) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID4311567
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name2-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(CN1CCNCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)11-3-1-10(2-4-11)12(19)9-18-7-5-17-6-8-18/h1-4,12,17,19H,5-9H2
InChIKeyLCVJHTWWEKWPER-UHFFFAOYSA-N
XLogP1.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 117244530
1-(4-iodophenyl)-2-piperazin-1-ylethanol
CID 3894753
1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 51501506
tert-butyl 4-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxylate
CID 178151027
1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 51501544
(1R)-1-(4-fluorophenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol
CID 7189249
1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine
CID 143117253
(1S)-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 70247468
(3S)-3-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 171174156
1-(1-methylpyrrol-3-yl)-2-piperazin-1-ylethanol
CID 82283971
1-[(1S)-4,4,4-trifluoro-1-[4-(trifluoromethyl)phenyl]butyl]piperazine
CID 171162914
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-ylethanol
CID 3261136

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]ethanol (CID 4311567) is 2-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]ethanol is OC(CN1CCNCC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is LCVJHTWWEKWPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c14-13(15,16)11-3-1-10(2-4-11)12(19)9-18-7-5-17-6-8-18/h1-4,12,17,19H,5-9H2.
What are the key properties of 2-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]ethanol?
2-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 274.29 g/mol, XLogP of 1.64, 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-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 4311567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).