(E)-1-(4-benzylpiperazin-1-yl)-2,2-difluoro-3-hydroxy-5-phenylpent-4-en-1-one

C22H24F2N2O2 — CID 11292106

IUPAC(E)-1-(4-benzylpiperazin-1-yl)-2,2-difluoro-3-hydroxy-5-phenylpent-4-en-1-one
SMILESO=C(N1CCN(Cc2ccccc2)CC1)C(F)(F)C(O)/C=C/c1ccccc1
InChIInChI=1S/C22H24F2N2O2/c23-22(24,20(27)12-11-18-7-3-1-4-8-18)21(28)26-15-13-25(14-16-26)17-19-9-5-2-6-10-19/h1-12,20,27H,13-17H2/b12-11+
InChIKeyBOULSIHYVZCWTP-VAWYXSNFSA-N
MW386.44 g/mol
LogP3.04
Rot. Bonds6

About (E)-1-(4-benzylpiperazin-1-yl)-2,2-difluoro-3-hydroxy-5-phenylpent-4-en-1-one

(E)-1-(4-benzylpiperazin-1-yl)-2,2-difluoro-3-hydroxy-5-phenylpent-4-en-1-one (PubChem CID 11292106) has the molecular formula C22H24F2N2O2 and a molecular weight of 386.44 g/mol. Its IUPAC name is (E)-1-(4-benzylpiperazin-1-yl)-2,2-difluoro-3-hydroxy-5-phenylpent-4-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-benzylpiperazin-1-yl)-2,2-difluoro-3-hydroxy-5-phenylpent-4-en-1-one
PubChem CID11292106
Molecular FormulaC22H24F2N2O2
Molecular Weight386.44 g/mol
Exact Mass386.18
IUPAC Name(E)-1-(4-benzylpiperazin-1-yl)-2,2-difluoro-3-hydroxy-5-phenylpent-4-en-1-one
SMILESO=C(N1CCN(Cc2ccccc2)CC1)C(F)(F)C(O)/C=C/c1ccccc1
InChIInChI=1S/C22H24F2N2O2/c23-22(24,20(27)12-11-18-7-3-1-4-8-18)21(28)26-15-13-25(14-16-26)17-19-9-5-2-6-10-19/h1-12,20,27H,13-17H2/b12-11+
InChIKeyBOULSIHYVZCWTP-VAWYXSNFSA-N
XLogP3.04
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (E)-1-(4-benzylpiperazin-1-yl)-2,2-difluoro-3-hydroxy-5-phenylpent-4-en-1-one with MolForge

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Related Compounds

1-(4-benzylpiperazin-1-yl)-2,2,3,3,4,4,4-heptafluorobutan-1-one
CID 3089162
(E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one
CID 717624
1-(4-benzyl-1,4-diazepan-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 10568410
1-(4-benzylpiperazin-1-yl)-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexan-1-one
CID 5085640
1-benzyl-4-[(E)-1,3-diphenylprop-2-enyl]piperazine
CID 122219060
(2R)-4-(4-benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-ol
CID 1477611
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
1-(4-benzylpiperazin-1-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononan-1-one
CID 3437992
1-benzyl-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 171151283
1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperazine-1-carboxylate
CID 118098574
(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-3-phenylprop-2-enamide
CID 9041528
1-(4-benzylpiperazin-1-yl)-2-chloroethanone;hydrochloride
CID 16806065

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-benzylpiperazin-1-yl)-2,2-difluoro-3-hydroxy-5-phenylpent-4-en-1-one?
The IUPAC name of (E)-1-(4-benzylpiperazin-1-yl)-2,2-difluoro-3-hydroxy-5-phenylpent-4-en-1-one (CID 11292106) is (E)-1-(4-benzylpiperazin-1-yl)-2,2-difluoro-3-hydroxy-5-phenylpent-4-en-1-one.
What is the SMILES notation for (E)-1-(4-benzylpiperazin-1-yl)-2,2-difluoro-3-hydroxy-5-phenylpent-4-en-1-one?
The canonical SMILES for (E)-1-(4-benzylpiperazin-1-yl)-2,2-difluoro-3-hydroxy-5-phenylpent-4-en-1-one is O=C(N1CCN(Cc2ccccc2)CC1)C(F)(F)C(O)/C=C/c1ccccc1.
What is the InChIKey of (E)-1-(4-benzylpiperazin-1-yl)-2,2-difluoro-3-hydroxy-5-phenylpent-4-en-1-one?
The InChIKey is BOULSIHYVZCWTP-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H24F2N2O2/c23-22(24,20(27)12-11-18-7-3-1-4-8-18)21(28)26-15-13-25(14-16-26)17-19-9-5-2-6-10-19/h1-12,20,27H,13-17H2/b12-11+.
What are the key properties of (E)-1-(4-benzylpiperazin-1-yl)-2,2-difluoro-3-hydroxy-5-phenylpent-4-en-1-one?
(E)-1-(4-benzylpiperazin-1-yl)-2,2-difluoro-3-hydroxy-5-phenylpent-4-en-1-one has a molecular weight of 386.44 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-benzylpiperazin-1-yl)-2,2-difluoro-3-hydroxy-5-phenylpent-4-en-1-one is sourced from PubChem (CID 11292106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).