1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine

C28H30F2N2O2 — CID 6438850

IUPAC1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine
SMILESCOc1ccc(/C=C/CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1OC
InChIInChI=1S/C28H30F2N2O2/c1-33-26-14-5-21(20-27(26)34-2)4-3-15-31-16-18-32(19-17-31)28(22-6-10-24(29)11-7-22)23-8-12-25(30)13-9-23/h3-14,20,28H,15-19H2,1-2H3/b4-3+
InChIKeyCELDOXOGIZIYPY-ONEGZZNKSA-N
MW464.56 g/mol
LogP5.40
Rot. Bonds8

About 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine

1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine (PubChem CID 6438850) has the molecular formula C28H30F2N2O2 and a molecular weight of 464.56 g/mol. Its IUPAC name is 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine
PubChem CID6438850
Molecular FormulaC28H30F2N2O2
Molecular Weight464.56 g/mol
Exact Mass464.23
IUPAC Name1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine
SMILESCOc1ccc(/C=C/CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1OC
InChIInChI=1S/C28H30F2N2O2/c1-33-26-14-5-21(20-27(26)34-2)4-3-15-31-16-18-32(19-17-31)28(22-6-10-24(29)11-7-22)23-8-12-25(30)13-9-23/h3-14,20,28H,15-19H2,1-2H3/b4-3+
InChIKeyCELDOXOGIZIYPY-ONEGZZNKSA-N
XLogP5.40
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.56
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(Z)-3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]prop-1-enyl]-2-methoxyphenyl] acetate
CID 74228003
1-[bis(4-fluorophenyl)methyl]-4-[3-(2,3,4-trimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 3025637
1-[(4-fluorophenyl)-(4-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 59781381
(Z)-4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]but-2-en-1-ol
CID 66917960
1-[bis(4-fluorophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine;hydrate;hydrochloride
CID 21154125
4-[(1E,3E)-5-(4-benzhydrylpiperazin-1-yl)penta-1,3-dienyl]-2,6-dimethoxyphenol
CID 21280912
2-[(E)-3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]prop-1-enyl]-N,N-diethylaniline
CID 67933536
1-benzhydryl-4-[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 6366671
1-[bis(4-fluorophenyl)methyl]-4-[2-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine
CID 57107726
1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine;2-carbamimidoyl-1,1-dimethylguanidine
CID 176541468
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazine
CID 10479663
4-[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]but-2-en-1-ol
CID 91533912

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine?
The IUPAC name of 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine (CID 6438850) is 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine.
What is the SMILES notation for 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine?
The canonical SMILES for 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine is COc1ccc(/C=C/CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1OC.
What is the InChIKey of 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine?
The InChIKey is CELDOXOGIZIYPY-ONEGZZNKSA-N. The full InChI is InChI=1S/C28H30F2N2O2/c1-33-26-14-5-21(20-27(26)34-2)4-3-15-31-16-18-32(19-17-31)28(22-6-10-24(29)11-7-22)23-8-12-25(30)13-9-23/h3-14,20,28H,15-19H2,1-2H3/b4-3+.
What are the key properties of 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine?
1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine has a molecular weight of 464.56 g/mol, XLogP of 5.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine is sourced from PubChem (CID 6438850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).