(2R)-3-(3-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one

C17H25FN2O2 — CID 95607196

IUPAC(2R)-3-(3-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESC[C@H](Cc1cccc(F)c1)C(=O)N1CCN(C[C@@H](C)O)CC1
InChIInChI=1S/C17H25FN2O2/c1-13(10-15-4-3-5-16(18)11-15)17(22)20-8-6-19(7-9-20)12-14(2)21/h3-5,11,13-14,21H,6-10,12H2,1-2H3/t13-,14-/m1/s1
InChIKeyFRAZKQRZYLRHCX-ZIAGYGMSSA-N
MW308.40 g/mol
LogP1.53
Rot. Bonds5

About (2R)-3-(3-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one

(2R)-3-(3-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 95607196) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is (2R)-3-(3-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name(2R)-3-(3-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one
PubChem CID95607196
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name(2R)-3-(3-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESC[C@H](Cc1cccc(F)c1)C(=O)N1CCN(C[C@@H](C)O)CC1
InChIInChI=1S/C17H25FN2O2/c1-13(10-15-4-3-5-16(18)11-15)17(22)20-8-6-19(7-9-20)12-14(2)21/h3-5,11,13-14,21H,6-10,12H2,1-2H3/t13-,14-/m1/s1
InChIKeyFRAZKQRZYLRHCX-ZIAGYGMSSA-N
XLogP1.53
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(3-fluorophenyl)-2-methyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 95250771
(2S)-3-(3-fluorophenyl)-2-methyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 95250770
(2R)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-methyl-3-phenylmethoxypropan-1-one
CID 95346467
(2S)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-methyl-3-phenylmethoxypropan-1-one
CID 95346465
(2S)-3-(3-fluorophenyl)-2-methyl-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one
CID 95151195
3-(3-fluorophenyl)-1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-methylpropan-1-one
CID 126766788
[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95337801
[1-(3-fluorophenyl)cyclobutyl]-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95606984
(2R)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 97039313
(3R)-3-(2-fluorophenyl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]butan-1-one
CID 95348820
1-(2,3-dimethylpiperazin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-one;hydrochloride
CID 120571034
2-cyclopropyl-1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]propan-1-one
CID 110608661

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of (2R)-3-(3-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one (CID 95607196) is (2R)-3-(3-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for (2R)-3-(3-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for (2R)-3-(3-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one is C[C@H](Cc1cccc(F)c1)C(=O)N1CCN(C[C@@H](C)O)CC1.
What is the InChIKey of (2R)-3-(3-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is FRAZKQRZYLRHCX-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-13(10-15-4-3-5-16(18)11-15)17(22)20-8-6-19(7-9-20)12-14(2)21/h3-5,11,13-14,21H,6-10,12H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of (2R)-3-(3-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one?
(2R)-3-(3-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 308.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 95607196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).