1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone

C16H21F3N2O3 — CID 95607032

IUPAC1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone
SMILESC[C@@H](O)CN1CCN(C(=O)COc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C16H21F3N2O3/c1-12(22)10-20-6-8-21(9-7-20)15(23)11-24-14-5-3-2-4-13(14)16(17,18)19/h2-5,12,22H,6-11H2,1H3/t12-/m1/s1
InChIKeyKNTABXNEELJOFV-GFCCVEGCSA-N
MW346.35 g/mol
LogP1.61
Rot. Bonds5

About 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone

1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone (PubChem CID 95607032) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone
PubChem CID95607032
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC Name1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone
SMILESC[C@@H](O)CN1CCN(C(=O)COc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C16H21F3N2O3/c1-12(22)10-20-6-8-21(9-7-20)15(23)11-24-14-5-3-2-4-13(14)16(17,18)19/h2-5,12,22H,6-11H2,1H3/t12-/m1/s1
InChIKeyKNTABXNEELJOFV-GFCCVEGCSA-N
XLogP1.61
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone with MolForge

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Related Compounds

2-(2-ethylphenoxy)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95606814
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone
CID 22265251
1-(4-ethylpiperazin-1-yl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 56824387
1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 95345574
N-(2-ethylphenyl)-2-[4-[2-[2-(trifluoromethyl)phenoxy]acetyl]piperazin-1-yl]acetamide
CID 39015022
2-(2-methoxyphenoxy)-1-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 113078007
1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-(2-phenoxyethoxy)ethanone
CID 95352392
1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone
CID 55950590
1-[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone
CID 86905549
1-[4-(3-aminopropyl)piperazin-1-yl]-2-(2-tert-butylphenoxy)ethanone
CID 54852543
2-(2-methoxyphenoxy)-1-[4-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]ethanone
CID 108547579
2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 60681856

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone?
The IUPAC name of 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone (CID 95607032) is 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone.
What is the SMILES notation for 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone?
The canonical SMILES for 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone is C[C@@H](O)CN1CCN(C(=O)COc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone?
The InChIKey is KNTABXNEELJOFV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c1-12(22)10-20-6-8-21(9-7-20)15(23)11-24-14-5-3-2-4-13(14)16(17,18)19/h2-5,12,22H,6-11H2,1H3/t12-/m1/s1.
What are the key properties of 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone?
1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone has a molecular weight of 346.35 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone is sourced from PubChem (CID 95607032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).