2-(2-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one

C17H25FN2O2 — CID 95607274

IUPAC2-(2-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESC[C@@H](O)CN1CCN(C(=O)C(C)(C)c2ccccc2F)CC1
InChIInChI=1S/C17H25FN2O2/c1-13(21)12-19-8-10-20(11-9-19)16(22)17(2,3)14-6-4-5-7-15(14)18/h4-7,13,21H,8-12H2,1-3H3/t13-/m1/s1
InChIKeyBSXDZHYQYFEFMA-CYBMUJFWSA-N
MW308.40 g/mol
LogP1.63
Rot. Bonds4

About 2-(2-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one

2-(2-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 95607274) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one
PubChem CID95607274
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name2-(2-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESC[C@@H](O)CN1CCN(C(=O)C(C)(C)c2ccccc2F)CC1
InChIInChI=1S/C17H25FN2O2/c1-13(21)12-19-8-10-20(11-9-19)16(22)17(2,3)14-6-4-5-7-15(14)18/h4-7,13,21H,8-12H2,1-3H3/t13-/m1/s1
InChIKeyBSXDZHYQYFEFMA-CYBMUJFWSA-N
XLogP1.63
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110897851
(3R)-3-(2-fluorophenyl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]butan-1-one
CID 95348820
1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone
CID 95607032
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134
[4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 82120170
(3S)-1-[2-(2-fluorophenyl)-2-methylpropanoyl]pyrrolidine-3-carboxylic acid
CID 124682167
N-[1-[2-(2-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]-2-methylpropanamide
CID 136580259
(5-chloro-2-fluorophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95351618
(2R)-3-(azetidin-1-yl)-N-[2-(2-fluorophenyl)propan-2-yl]-2-methylpropanamide
CID 166072160
(7-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779859
2-(2-fluorophenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 60590521
(2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779831

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-(2-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one (CID 95607274) is 2-(2-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-(2-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one is C[C@@H](O)CN1CCN(C(=O)C(C)(C)c2ccccc2F)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is BSXDZHYQYFEFMA-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-13(21)12-19-8-10-20(11-9-19)16(22)17(2,3)14-6-4-5-7-15(14)18/h4-7,13,21H,8-12H2,1-3H3/t13-/m1/s1.
What are the key properties of 2-(2-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one?
2-(2-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 308.40 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 95607274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).