1-[bis(4-fluorophenyl)methyl]-4-(4-prop-2-enylphenyl)piperazine

C26H26F2N2 — CID 141151305

IUPAC1-[bis(4-fluorophenyl)methyl]-4-(4-prop-2-enylphenyl)piperazine
SMILESC=CCc1ccc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C26H26F2N2/c1-2-3-20-4-14-25(15-5-20)29-16-18-30(19-17-29)26(21-6-10-23(27)11-7-21)22-8-12-24(28)13-9-22/h2,4-15,26H,1,3,16-19H2
InChIKeyBYXJPCHJAVFPBZ-UHFFFAOYSA-N
MW404.50 g/mol
LogP5.60
Rot. Bonds6

About 1-[bis(4-fluorophenyl)methyl]-4-(4-prop-2-enylphenyl)piperazine

1-[bis(4-fluorophenyl)methyl]-4-(4-prop-2-enylphenyl)piperazine (PubChem CID 141151305) has the molecular formula C26H26F2N2 and a molecular weight of 404.50 g/mol. Its IUPAC name is 1-[bis(4-fluorophenyl)methyl]-4-(4-prop-2-enylphenyl)piperazine.

Molecular Properties

Compound Name1-[bis(4-fluorophenyl)methyl]-4-(4-prop-2-enylphenyl)piperazine
PubChem CID141151305
Molecular FormulaC26H26F2N2
Molecular Weight404.50 g/mol
Exact Mass404.21
IUPAC Name1-[bis(4-fluorophenyl)methyl]-4-(4-prop-2-enylphenyl)piperazine
SMILESC=CCc1ccc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C26H26F2N2/c1-2-3-20-4-14-25(15-5-20)29-16-18-30(19-17-29)26(21-6-10-23(27)11-7-21)22-8-12-24(28)13-9-22/h2,4-15,26H,1,3,16-19H2
InChIKeyBYXJPCHJAVFPBZ-UHFFFAOYSA-N
XLogP5.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.50
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[bis(4-fluorophenyl)methyl]-4-(4-fluoro-2-prop-2-enylphenyl)piperazine
CID 141324432
1-[1-[4-(chloromethyl)phenyl]ethyl]-4-(4-fluorophenyl)piperazine
CID 18423146
(2S)-2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
CID 97135011
1-fluoro-4-prop-2-enylbenzene;methanamine
CID 143096990
4-[bis(4-fluorophenyl)methyl]morpholine
CID 25146239
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
1-(4-fluorophenyl)-4-[(4-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine
CID 3209982
1-(4-fluorophenyl)-4-[(4-methoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine
CID 3209998
(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol
CID 29132325
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanamine
CID 16642714
1-(1,2-diphenylethyl)-4-(4-fluorophenyl)piperazine;guanidine
CID 143935538
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 2770383

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-fluorophenyl)methyl]-4-(4-prop-2-enylphenyl)piperazine?
The IUPAC name of 1-[bis(4-fluorophenyl)methyl]-4-(4-prop-2-enylphenyl)piperazine (CID 141151305) is 1-[bis(4-fluorophenyl)methyl]-4-(4-prop-2-enylphenyl)piperazine.
What is the SMILES notation for 1-[bis(4-fluorophenyl)methyl]-4-(4-prop-2-enylphenyl)piperazine?
The canonical SMILES for 1-[bis(4-fluorophenyl)methyl]-4-(4-prop-2-enylphenyl)piperazine is C=CCc1ccc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-[bis(4-fluorophenyl)methyl]-4-(4-prop-2-enylphenyl)piperazine?
The InChIKey is BYXJPCHJAVFPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N2/c1-2-3-20-4-14-25(15-5-20)29-16-18-30(19-17-29)26(21-6-10-23(27)11-7-21)22-8-12-24(28)13-9-22/h2,4-15,26H,1,3,16-19H2.
What are the key properties of 1-[bis(4-fluorophenyl)methyl]-4-(4-prop-2-enylphenyl)piperazine?
1-[bis(4-fluorophenyl)methyl]-4-(4-prop-2-enylphenyl)piperazine has a molecular weight of 404.50 g/mol, XLogP of 5.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-fluorophenyl)methyl]-4-(4-prop-2-enylphenyl)piperazine is sourced from PubChem (CID 141151305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).