(2R)-1-(4-benzylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one

C15H19F3N2O2 — CID 10805348

IUPAC(2R)-1-(4-benzylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
SMILESC[C@@](O)(C(=O)N1CCN(Cc2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C15H19F3N2O2/c1-14(22,15(16,17)18)13(21)20-9-7-19(8-10-20)11-12-5-3-2-4-6-12/h2-6,22H,7-11H2,1H3/t14-/m1/s1
InChIKeyKWYSLQQFPJNQKB-CQSZACIVSA-N
MW316.32 g/mol
LogP1.64
Rot. Bonds3

About (2R)-1-(4-benzylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one

(2R)-1-(4-benzylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one (PubChem CID 10805348) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is (2R)-1-(4-benzylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-(4-benzylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
PubChem CID10805348
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name(2R)-1-(4-benzylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
SMILESC[C@@](O)(C(=O)N1CCN(Cc2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C15H19F3N2O2/c1-14(22,15(16,17)18)13(21)20-9-7-19(8-10-20)11-12-5-3-2-4-6-12/h2-6,22H,7-11H2,1H3/t14-/m1/s1
InChIKeyKWYSLQQFPJNQKB-CQSZACIVSA-N
XLogP1.64
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(4-benzylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one with MolForge

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Related Compounds

1-(4-Benzylpiperazin-1-yl)-2,2,2-trifluoroethan-1-one
CID 5216003
1-{4-[(4-Fluorophenyl)methyl]piperazin-1-yl}propan-1-one
CID 19323503
1-[4-[(3-Fluorophenyl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 742529
(2R)-1-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 10759850
(2R)-1-[(2S,5R)-4-benzyl-2,5-dimethylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 10759867
3-Methyl-1-[4-(4-trifluoromethyl-benzyl)-piperazin-1-yl]-butan-1-one
CID 712559
1-Acetyl-4-benzylpiperazine
CID 756919
N-Methyl-N-[(3R,4S)-3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]benzamide
CID 132059769
US10927128, Example 68
CID 135374675
(2R)-1-[(3R)-4-benzyl-3-methylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 10687855
N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-[2-(1-piperidyl)ethyl]-2H-pyrrole-3-carboxamide
CID 54733179
1-(4-Benzylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 10852816

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-benzylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of (2R)-1-(4-benzylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one (CID 10805348) is (2R)-1-(4-benzylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for (2R)-1-(4-benzylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for (2R)-1-(4-benzylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one is C[C@@](O)(C(=O)N1CCN(Cc2ccccc2)CC1)C(F)(F)F.
What is the InChIKey of (2R)-1-(4-benzylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
The InChIKey is KWYSLQQFPJNQKB-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-14(22,15(16,17)18)13(21)20-9-7-19(8-10-20)11-12-5-3-2-4-6-12/h2-6,22H,7-11H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-1-(4-benzylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
(2R)-1-(4-benzylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one has a molecular weight of 316.32 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-benzylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 10805348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).