[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone

C17H25FN2O3 — CID 56803160

IUPAC[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone
SMILESCCOCC(O)CN1CCN(C(=O)c2cc(F)ccc2C)CC1
InChIInChI=1S/C17H25FN2O3/c1-3-23-12-15(21)11-19-6-8-20(9-7-19)17(22)16-10-14(18)5-4-13(16)2/h4-5,10,15,21H,3,6-9,11-12H2,1-2H3
InChIKeyJXPSJFLDZMNZNS-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.29
Rot. Bonds6

About [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone

[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone (PubChem CID 56803160) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone
PubChem CID56803160
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone
SMILESCCOCC(O)CN1CCN(C(=O)c2cc(F)ccc2C)CC1
InChIInChI=1S/C17H25FN2O3/c1-3-23-12-15(21)11-19-6-8-20(9-7-19)17(22)16-10-14(18)5-4-13(16)2/h4-5,10,15,21H,3,6-9,11-12H2,1-2H3
InChIKeyJXPSJFLDZMNZNS-UHFFFAOYSA-N
XLogP1.29
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-allyl-6-(1-(4-fluorobenzoyl)piperidin-4-yloxy)-N-methylhexan-1-aminium
CID 44306062
(2-Methylphenyl)(morpholin-4-yl)methanone
CID 236069
2-(4-Benzoylpiperazin-1-yl)ethan-1-ol
CID 3261601
4-Benzoyl-1-[3-(cyclohexyloxy)-2-hydroxypropyl]piperazin-1-ium chloride
CID 2930773
1-(3-Fluorobenzoyl)-4-[(1-methylpiperidin-4-YL)oxy]piperidine
CID 91916428
{4-[3-(Cyclohex-3-enylmethoxy)-2-hydroxy-propyl]-piperazin-1-yl}-phenyl-methanone
CID 6603666
1-Piperazineethanol, 4-(4-fluorobenzoyl)-, monohydrochloride
CID 3044057
[4-(3-Cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone
CID 2930774
[4-[2-Hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]-phenylmethanone
CID 6488937
[4-(2-Hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride
CID 6603259
(3'R*,4'R*)-1'-(2-methylbenzoyl)-1,4'-bipiperidine-3',4-diol
CID 26394591
2-[4-(2,5-dimethylbenzoyl)-2-morpholinyl]-N,N-dimethylethanamine
CID 45235539

Frequently Asked Questions

What is the IUPAC name of [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone?
The IUPAC name of [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone (CID 56803160) is [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone?
The canonical SMILES for [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone is CCOCC(O)CN1CCN(C(=O)c2cc(F)ccc2C)CC1.
What is the InChIKey of [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone?
The InChIKey is JXPSJFLDZMNZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-3-23-12-15(21)11-19-6-8-20(9-7-19)17(22)16-10-14(18)5-4-13(16)2/h4-5,10,15,21H,3,6-9,11-12H2,1-2H3.
What are the key properties of [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone?
[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone has a molecular weight of 324.40 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 56803160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).