1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperazine

C20H24F2N2O — CID 4742801

IUPAC1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperazine
SMILESCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H24F2N2O/c1-23-10-12-24(13-11-23)14-15-25-20(16-2-6-18(21)7-3-16)17-4-8-19(22)9-5-17/h2-9,20H,10-15H2,1H3
InChIKeyVFMYPNYGLOWZLF-UHFFFAOYSA-N
MW346.42 g/mol
LogP3.32
Rot. Bonds6

About 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperazine

1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperazine (PubChem CID 4742801) has the molecular formula C20H24F2N2O and a molecular weight of 346.42 g/mol. Its IUPAC name is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperazine
PubChem CID4742801
Molecular FormulaC20H24F2N2O
Molecular Weight346.42 g/mol
Exact Mass346.19
IUPAC Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperazine
SMILESCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H24F2N2O/c1-23-10-12-24(13-11-23)14-15-25-20(16-2-6-18(21)7-3-16)17-4-8-19(22)9-5-17/h2-9,20H,10-15H2,1H3
InChIKeyVFMYPNYGLOWZLF-UHFFFAOYSA-N
XLogP3.32
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride
CID 3024524
1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine chloride
CID 53347186
3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoic acid
CID 3046260
1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride
CID 3024525
N-[4-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]butan-2-ylidene]hydroxylamine
CID 86747464
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperidine-4-carbonitrile
CID 10384538
1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;dihydrochloride
CID 19849738
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazine
CID 10479663
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-methylpiperazine-1-carbothioamide;hydrochloride
CID 23371521
(1S)-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-1-phenylpropan-1-ol
CID 10027543
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine-4-carboxylic acid
CID 139851809
3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-1-phenylpropan-1-one
CID 12017337

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperazine (CID 4742801) is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperazine is CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperazine?
The InChIKey is VFMYPNYGLOWZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O/c1-23-10-12-24(13-11-23)14-15-25-20(16-2-6-18(21)7-3-16)17-4-8-19(22)9-5-17/h2-9,20H,10-15H2,1H3.
What are the key properties of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperazine?
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperazine has a molecular weight of 346.42 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperazine is sourced from PubChem (CID 4742801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).