2-(4-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone

C16H23FN2O2 — CID 95337967

IUPAC2-(4-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone
SMILESCC[C@@H](O)CN1CCN(C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O2/c1-2-15(20)12-18-7-9-19(10-8-18)16(21)11-13-3-5-14(17)6-4-13/h3-6,15,20H,2,7-12H2,1H3/t15-/m1/s1
InChIKeyFVNWFWWNUWIBKK-OAHLLOKOSA-N
MW294.37 g/mol
LogP1.28
Rot. Bonds5

About 2-(4-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone

2-(4-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone (PubChem CID 95337967) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone
PubChem CID95337967
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name2-(4-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone
SMILESCC[C@@H](O)CN1CCN(C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O2/c1-2-15(20)12-18-7-9-19(10-8-18)16(21)11-13-3-5-14(17)6-4-13/h3-6,15,20H,2,7-12H2,1H3/t15-/m1/s1
InChIKeyFVNWFWWNUWIBKK-OAHLLOKOSA-N
XLogP1.28
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 95613238
2-(4-fluorophenyl)-1-[4-[2-hydroxy-3-(4-methylphenoxy)propyl]piperazin-1-yl]ethanone
CID 46445331
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110365702
2-(4-fluorophenyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone
CID 63239769
[1-(4-fluorophenyl)cyclopropyl]-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95341434
1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 21241521
1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-1-one
CID 110922561
3-(2-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]propan-1-one
CID 95351563
methyl 4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxylate
CID 110365716
2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethanethioamide
CID 63336589
2-(4-ethoxyphenyl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95348538

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone (CID 95337967) is 2-(4-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone is CC[C@@H](O)CN1CCN(C(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone?
The InChIKey is FVNWFWWNUWIBKK-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-2-15(20)12-18-7-9-19(10-8-18)16(21)11-13-3-5-14(17)6-4-13/h3-6,15,20H,2,7-12H2,1H3/t15-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone has a molecular weight of 294.37 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 95337967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).