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

C18H19F3N2 — CID 146466352

IUPAC1-[bis(4-fluorophenyl)methyl]-2-(fluoromethyl)piperazine
SMILESFCC1CNCCN1C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H19F3N2/c19-11-17-12-22-9-10-23(17)18(13-1-5-15(20)6-2-13)14-3-7-16(21)8-4-14/h1-8,17-18,22H,9-12H2
InChIKeyWZKNGPXOUHDMAP-UHFFFAOYSA-N
MW320.36 g/mol
LogP3.30
Rot. Bonds4

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

1-[bis(4-fluorophenyl)methyl]-2-(fluoromethyl)piperazine (PubChem CID 146466352) has the molecular formula C18H19F3N2 and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-[bis(4-fluorophenyl)methyl]-2-(fluoromethyl)piperazine.

Molecular Properties

Compound Name1-[bis(4-fluorophenyl)methyl]-2-(fluoromethyl)piperazine
PubChem CID146466352
Molecular FormulaC18H19F3N2
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name1-[bis(4-fluorophenyl)methyl]-2-(fluoromethyl)piperazine
SMILESFCC1CNCCN1C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H19F3N2/c19-11-17-12-22-9-10-23(17)18(13-1-5-15(20)6-2-13)14-3-7-16(21)8-4-14/h1-8,17-18,22H,9-12H2
InChIKeyWZKNGPXOUHDMAP-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[bis(4-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 162512220
ethyl 2-[(2R)-1-benzhydrylpiperazin-2-yl]acetate;dihydrochloride
CID 178079830
1-[2-(4-fluorophenyl)propyl]-2-methylpiperazine
CID 120837102
2-(1-benzhydrylpiperazin-2-yl)ethyl 3-oxobutanoate
CID 54180218
(2S)-1-benzhydrylpiperazine-2-carbonitrile;dihydrochloride
CID 178079938
3-[[(2S)-2-(methylsulfonylmethyl)piperazin-1-yl]-phenylmethyl]benzonitrile
CID 171797520
3-[1-(4-fluorophenyl)piperazin-2-yl]propan-1-ol
CID 67722898
2-[1-[amino-(4-aminophenyl)methyl]piperazin-2-yl]acetonitrile
CID 170343170
(3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171173429
1-[1-[4-(4-fluorophenyl)phenyl]ethyl]piperazine
CID 22760403
1-[(1R)-1-(4-fluorophenyl)propyl]piperazine
CID 28798751
2-(4-fluorophenyl)-2-piperazin-1-ylethanol
CID 11972041

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-fluorophenyl)methyl]-2-(fluoromethyl)piperazine?
The IUPAC name of 1-[bis(4-fluorophenyl)methyl]-2-(fluoromethyl)piperazine (CID 146466352) is 1-[bis(4-fluorophenyl)methyl]-2-(fluoromethyl)piperazine.
What is the SMILES notation for 1-[bis(4-fluorophenyl)methyl]-2-(fluoromethyl)piperazine?
The canonical SMILES for 1-[bis(4-fluorophenyl)methyl]-2-(fluoromethyl)piperazine is FCC1CNCCN1C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-[bis(4-fluorophenyl)methyl]-2-(fluoromethyl)piperazine?
The InChIKey is WZKNGPXOUHDMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2/c19-11-17-12-22-9-10-23(17)18(13-1-5-15(20)6-2-13)14-3-7-16(21)8-4-14/h1-8,17-18,22H,9-12H2.
What are the key properties of 1-[bis(4-fluorophenyl)methyl]-2-(fluoromethyl)piperazine?
1-[bis(4-fluorophenyl)methyl]-2-(fluoromethyl)piperazine has a molecular weight of 320.36 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-fluorophenyl)methyl]-2-(fluoromethyl)piperazine is sourced from PubChem (CID 146466352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).