1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2,2-dimethoxyethyl)piperazine

C23H30F2N2O3 — CID 19106735

IUPAC1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2,2-dimethoxyethyl)piperazine
SMILESCOC(CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)OC
InChIInChI=1S/C23H30F2N2O3/c1-28-22(29-2)17-27-13-11-26(12-14-27)15-16-30-23(18-3-7-20(24)8-4-18)19-5-9-21(25)10-6-19/h3-10,22-23H,11-17H2,1-2H3
InChIKeyDUVFUTGNSPUNGO-UHFFFAOYSA-N
MW420.50 g/mol
LogP3.31
Rot. Bonds10

About 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2,2-dimethoxyethyl)piperazine

1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2,2-dimethoxyethyl)piperazine (PubChem CID 19106735) has the molecular formula C23H30F2N2O3 and a molecular weight of 420.50 g/mol. Its IUPAC name is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2,2-dimethoxyethyl)piperazine.

Molecular Properties

Compound Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2,2-dimethoxyethyl)piperazine
PubChem CID19106735
Molecular FormulaC23H30F2N2O3
Molecular Weight420.50 g/mol
Exact Mass420.22
IUPAC Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2,2-dimethoxyethyl)piperazine
SMILESCOC(CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)OC
InChIInChI=1S/C23H30F2N2O3/c1-28-22(29-2)17-27-13-11-26(12-14-27)15-16-30-23(18-3-7-20(24)8-4-18)19-5-9-21(25)10-6-19/h3-10,22-23H,11-17H2,1-2H3
InChIKeyDUVFUTGNSPUNGO-UHFFFAOYSA-N
XLogP3.31
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Vanoxerine
CID 3455
1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenyl-2-propenyl)piperazine
CID 5788723
1-(4-(2-(Bis(4-fluorophenyl)methoxy)ethyl)piperazinyl)-3-phenylpropan-2-ol
CID 20443037
1-(2-(Bis(4-fluorophenyl)methoxy)ethyl)-4-(3-phenyl-2-propenyl)piperazine
CID 5974189
1-[2-(Diphenylmethoxy)ethyl]piperazine
CID 648525
(2S)-1-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}piperazin-1-yl)-3-phenylpropan-2-ol
CID 10479666
Vanoxerine dihydrochloride
CID 104920
Ethylbenzhydramine
CID 12552
1,4-Bis[2-(benzyloxy)ethyl]piperazine
CID 2973061
(2R)-1-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}piperazin-1-yl)-3-phenylpropan-2-ol
CID 11102683
1-{2-[Bis(4-fluorophenyl)methoxy]ethyl}-4-(2-phenylethyl)piperazine
CID 12634880
1-[(2S)-2-benzylpropyl]-4-{2-[bis(4-fluorophenyl)methoxy]ethyl}piperazine
CID 24825318

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2,2-dimethoxyethyl)piperazine?
The IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2,2-dimethoxyethyl)piperazine (CID 19106735) is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2,2-dimethoxyethyl)piperazine.
What is the SMILES notation for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2,2-dimethoxyethyl)piperazine?
The canonical SMILES for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2,2-dimethoxyethyl)piperazine is COC(CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)OC.
What is the InChIKey of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2,2-dimethoxyethyl)piperazine?
The InChIKey is DUVFUTGNSPUNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2N2O3/c1-28-22(29-2)17-27-13-11-26(12-14-27)15-16-30-23(18-3-7-20(24)8-4-18)19-5-9-21(25)10-6-19/h3-10,22-23H,11-17H2,1-2H3.
What are the key properties of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2,2-dimethoxyethyl)piperazine?
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2,2-dimethoxyethyl)piperazine has a molecular weight of 420.50 g/mol, XLogP of 3.31, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2,2-dimethoxyethyl)piperazine is sourced from PubChem (CID 19106735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).