(2R)-1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenoxy)butan-1-one

C21H25FN2O2 — CID 30390452

IUPAC(2R)-1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenoxy)butan-1-one
SMILESCC[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H25FN2O2/c1-2-20(26-19-10-8-18(22)9-11-19)21(25)24-14-12-23(13-15-24)16-17-6-4-3-5-7-17/h3-11,20H,2,12-16H2,1H3/t20-/m1/s1
InChIKeyFCSQEMJKANMGMU-HXUWFJFHSA-N
MW356.44 g/mol
LogP3.33
Rot. Bonds6

About (2R)-1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenoxy)butan-1-one

(2R)-1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenoxy)butan-1-one (PubChem CID 30390452) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is (2R)-1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenoxy)butan-1-one.

Molecular Properties

Compound Name(2R)-1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenoxy)butan-1-one
PubChem CID30390452
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name(2R)-1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenoxy)butan-1-one
SMILESCC[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H25FN2O2/c1-2-20(26-19-10-8-18(22)9-11-19)21(25)24-14-12-23(13-15-24)16-17-6-4-3-5-7-17/h3-11,20H,2,12-16H2,1H3/t20-/m1/s1
InChIKeyFCSQEMJKANMGMU-HXUWFJFHSA-N
XLogP3.33
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)butan-1-one
CID 21472286
1-(4-benzylpiperazin-1-yl)-2-(4-ethylphenoxy)butan-1-one
CID 132654804
(2R)-1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)butan-1-one
CID 28567351
4-[(2R)-2-(4-fluorophenoxy)butanoyl]piperazine-1-carbaldehyde
CID 93487859
(2S)-1-(4-benzhydrylpiperazin-1-yl)-2-(4-fluorophenoxy)butan-1-one
CID 99958556
(2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one
CID 7302330
ethyl 4-[2-(4-fluorophenoxy)butanoyl]piperazine-1-carboxylate
CID 43875370
1-(4-benzylpiperazin-1-yl)-2-phenoxyoctan-1-one
CID 21472215
1-(4-benzylpiperazin-1-yl)-2-ethylbutan-1-one
CID 1092017
1-(4-benzylpiperazin-1-yl)-2-(3,4-dichlorophenoxy)hexan-1-one
CID 21472246
1-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 17200498
(2R)-2-(4-ethylphenoxy)-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 99132960

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenoxy)butan-1-one?
The IUPAC name of (2R)-1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenoxy)butan-1-one (CID 30390452) is (2R)-1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenoxy)butan-1-one.
What is the SMILES notation for (2R)-1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenoxy)butan-1-one?
The canonical SMILES for (2R)-1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenoxy)butan-1-one is CC[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2R)-1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenoxy)butan-1-one?
The InChIKey is FCSQEMJKANMGMU-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-2-20(26-19-10-8-18(22)9-11-19)21(25)24-14-12-23(13-15-24)16-17-6-4-3-5-7-17/h3-11,20H,2,12-16H2,1H3/t20-/m1/s1.
What are the key properties of (2R)-1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenoxy)butan-1-one?
(2R)-1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenoxy)butan-1-one has a molecular weight of 356.44 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenoxy)butan-1-one is sourced from PubChem (CID 30390452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).