4-(4-fluorophenoxy)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]butan-1-one

C17H25FN2O3 — CID 95348392

IUPAC4-(4-fluorophenoxy)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]butan-1-one
SMILESC[C@@H](O)CN1CCN(C(=O)CCCOc2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN2O3/c1-14(21)13-19-8-10-20(11-9-19)17(22)3-2-12-23-16-6-4-15(18)5-7-16/h4-7,14,21H,2-3,8-13H2,1H3/t14-/m1/s1
InChIKeyHIXLQRCVOGOPOI-CQSZACIVSA-N
MW324.40 g/mol
LogP1.51
Rot. Bonds7

About 4-(4-fluorophenoxy)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]butan-1-one

4-(4-fluorophenoxy)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]butan-1-one (PubChem CID 95348392) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]butan-1-one
PubChem CID95348392
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name4-(4-fluorophenoxy)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]butan-1-one
SMILESC[C@@H](O)CN1CCN(C(=O)CCCOc2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN2O3/c1-14(21)13-19-8-10-20(11-9-19)17(22)3-2-12-23-16-6-4-15(18)5-7-16/h4-7,14,21H,2-3,8-13H2,1H3/t14-/m1/s1
InChIKeyHIXLQRCVOGOPOI-CQSZACIVSA-N
XLogP1.51
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-4-phenoxybutan-1-one
CID 95348965
1-[4-(1-aminoethyl)piperidin-1-yl]-4-(4-fluorophenoxy)butan-1-one;hydrochloride
CID 119517972
3-(2-chloro-4-fluorophenoxy)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-1-one
CID 95335573
1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-7-(trifluoromethoxy)octan-1-one;hydrochloride
CID 141189376
2-(4-ethoxyphenyl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95348538
1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-(2-phenoxyethoxy)ethanone
CID 95352392
2-[bis(4-fluorophenyl)methylsulfanyl]-1-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone
CID 134132598
3-(4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one
CID 39256403
2-(4-fluorophenyl)-1-[4-[2-hydroxy-3-(4-methylphenoxy)propyl]piperazin-1-yl]ethanone
CID 46445331
1-[3-(1-aminoethyl)piperidin-1-yl]-4-(4-fluorophenoxy)butan-1-one
CID 119593930
4-(4-fluorophenoxy)-1-[(3S)-3-hydroxypyrrolidin-1-yl]butan-1-one
CID 79031097
4-(2-ethoxyphenoxy)-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
CID 112765521

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 4-(4-fluorophenoxy)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]butan-1-one (CID 95348392) is 4-(4-fluorophenoxy)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-(4-fluorophenoxy)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-(4-fluorophenoxy)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]butan-1-one is C[C@@H](O)CN1CCN(C(=O)CCCOc2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenoxy)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]butan-1-one?
The InChIKey is HIXLQRCVOGOPOI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-14(21)13-19-8-10-20(11-9-19)17(22)3-2-12-23-16-6-4-15(18)5-7-16/h4-7,14,21H,2-3,8-13H2,1H3/t14-/m1/s1.
What are the key properties of 4-(4-fluorophenoxy)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]butan-1-one?
4-(4-fluorophenoxy)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]butan-1-one has a molecular weight of 324.40 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 95348392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).