1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone

C16H21F3N2O3 — CID 95334934

IUPAC1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)N1CCN(C[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C16H21F3N2O3/c17-16(18,19)12-24-11-15(23)21-8-6-20(7-9-21)10-14(22)13-4-2-1-3-5-13/h1-5,14,22H,6-12H2/t14-/m0/s1
InChIKeyCXPSPWQRNHYUJE-AWEZNQCLSA-N
MW346.35 g/mol
LogP1.44
Rot. Bonds6

About 1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone

1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 95334934) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID95334934
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC Name1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)N1CCN(C[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C16H21F3N2O3/c17-16(18,19)12-24-11-15(23)21-8-6-20(7-9-21)10-14(22)13-4-2-1-3-5-13/h1-5,14,22H,6-12H2/t14-/m0/s1
InChIKeyCXPSPWQRNHYUJE-AWEZNQCLSA-N
XLogP1.44
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone with MolForge

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Related Compounds

1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-propoxyethanone
CID 95345396
1-[4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 95343365
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-phenylethanone
CID 94085003
1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-pyridin-3-yloxyethanone
CID 95321520
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 95311755
1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-4-methoxybutan-1-one
CID 56802145
ethyl 4-(2-hydroxy-2-phenylethyl)piperazine-1-carboxylate
CID 3269514
ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate
CID 2106477
1-phenyl-2-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]ethanol
CID 110891512
2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 56827835
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-methylbutane-1,2-dione
CID 124744287
3-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982698

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone (CID 95334934) is 1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone is O=C(COCC(F)(F)F)N1CCN(C[C@H](O)c2ccccc2)CC1.
What is the InChIKey of 1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is CXPSPWQRNHYUJE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c17-16(18,19)12-24-11-15(23)21-8-6-20(7-9-21)10-14(22)13-4-2-1-3-5-13/h1-5,14,22H,6-12H2/t14-/m0/s1.
What are the key properties of 1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 346.35 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 95334934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).