2-[(E)-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]prop-1-enyl]phenol

C28H30F2N2O2 — CID 10647833

IUPAC2-[(E)-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]prop-1-enyl]phenol
SMILESOc1ccccc1/C=C/CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C28H30F2N2O2/c29-25-11-7-23(8-12-25)28(24-9-13-26(30)14-10-24)34-21-20-32-18-16-31(17-19-32)15-3-5-22-4-1-2-6-27(22)33/h1-14,28,33H,15-21H2/b5-3+
InChIKeyLCGMVNDXDILPJF-HWKANZROSA-N
MW464.56 g/mol
LogP5.11
Rot. Bonds9

About 2-[(E)-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]prop-1-enyl]phenol

2-[(E)-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]prop-1-enyl]phenol (PubChem CID 10647833) has the molecular formula C28H30F2N2O2 and a molecular weight of 464.56 g/mol. Its IUPAC name is 2-[(E)-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]prop-1-enyl]phenol.

Molecular Properties

Compound Name2-[(E)-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]prop-1-enyl]phenol
PubChem CID10647833
Molecular FormulaC28H30F2N2O2
Molecular Weight464.56 g/mol
Exact Mass464.23
IUPAC Name2-[(E)-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]prop-1-enyl]phenol
SMILESOc1ccccc1/C=C/CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C28H30F2N2O2/c29-25-11-7-23(8-12-25)28(24-9-13-26(30)14-10-24)34-21-20-32-18-16-31(17-19-32)15-3-5-22-4-1-2-6-27(22)33/h1-14,28,33H,15-21H2/b5-3+
InChIKeyLCGMVNDXDILPJF-HWKANZROSA-N
XLogP5.11
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.56
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazine
CID 10479663
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylprop-2-enyl)piperazine;(Z)-but-2-enedioic acid
CID 70573063
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(E)-3-pyridin-3-ylprop-2-enyl]piperazine
CID 10789674
3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-1-phenylpropan-1-one
CID 12017337
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperazine
CID 4742801
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride
CID 3024524
(1S)-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-1-phenylpropan-1-ol
CID 10027543
1-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-4-(3-phenylprop-2-enyl)piperazine
CID 54531771
(E)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
CID 10719928
1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;but-2-enedioic acid
CID 70573507
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(E)-3-phenylprop-1-enyl]piperazine;2-hydroxybenzoic acid
CID 25003904
1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;dihydrochloride
CID 19849738

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]prop-1-enyl]phenol?
The IUPAC name of 2-[(E)-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]prop-1-enyl]phenol (CID 10647833) is 2-[(E)-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]prop-1-enyl]phenol.
What is the SMILES notation for 2-[(E)-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]prop-1-enyl]phenol?
The canonical SMILES for 2-[(E)-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]prop-1-enyl]phenol is Oc1ccccc1/C=C/CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[(E)-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]prop-1-enyl]phenol?
The InChIKey is LCGMVNDXDILPJF-HWKANZROSA-N. The full InChI is InChI=1S/C28H30F2N2O2/c29-25-11-7-23(8-12-25)28(24-9-13-26(30)14-10-24)34-21-20-32-18-16-31(17-19-32)15-3-5-22-4-1-2-6-27(22)33/h1-14,28,33H,15-21H2/b5-3+.
What are the key properties of 2-[(E)-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]prop-1-enyl]phenol?
2-[(E)-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]prop-1-enyl]phenol has a molecular weight of 464.56 g/mol, XLogP of 5.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]prop-1-enyl]phenol is sourced from PubChem (CID 10647833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).