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

C22H28F2N2O — CID 19844673

IUPAC1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-propylpiperazine
SMILESCCCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H28F2N2O/c1-2-11-25-12-14-26(15-13-25)16-17-27-22(18-3-7-20(23)8-4-18)19-5-9-21(24)10-6-19/h3-10,22H,2,11-17H2,1H3
InChIKeyGXWCBMVAILMLDT-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.10
Rot. Bonds8

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

1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-propylpiperazine (PubChem CID 19844673) has the molecular formula C22H28F2N2O and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-propylpiperazine.

Molecular Properties

Compound Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-propylpiperazine
PubChem CID19844673
Molecular FormulaC22H28F2N2O
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-propylpiperazine
SMILESCCCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H28F2N2O/c1-2-11-25-12-14-26(15-13-25)16-17-27-22(18-3-7-20(23)8-4-18)19-5-9-21(24)10-6-19/h3-10,22H,2,11-17H2,1H3
InChIKeyGXWCBMVAILMLDT-UHFFFAOYSA-N
XLogP4.10
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Diphenhydramine
CID 3100
Diphenhydramine Hydrochloride
CID 8980
Orphenadrine
CID 4601
Diphenylpyraline
CID 3103
Vanoxerine
CID 3455
Orphenadrine Hydrochloride
CID 9568
Diphenylpyraline Hydrochloride
CID 66063
1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine
CID 3456
Oxaflozane
CID 432824
1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenyl-2-propenyl)piperazine
CID 5788723
(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-butyl-8-azabicyclo[3.2.1]octane
CID 10091491
1-(4-(2-(Bis(4-fluorophenyl)methoxy)ethyl)piperazinyl)-3-phenylpropan-2-ol
CID 20443037

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-propylpiperazine?
The IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-propylpiperazine (CID 19844673) is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-propylpiperazine.
What is the SMILES notation for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-propylpiperazine?
The canonical SMILES for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-propylpiperazine is CCCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-propylpiperazine?
The InChIKey is GXWCBMVAILMLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N2O/c1-2-11-25-12-14-26(15-13-25)16-17-27-22(18-3-7-20(23)8-4-18)19-5-9-21(24)10-6-19/h3-10,22H,2,11-17H2,1H3.
What are the key properties of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-propylpiperazine?
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-propylpiperazine has a molecular weight of 374.48 g/mol, XLogP of 4.10, 8 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-propylpiperazine is sourced from PubChem (CID 19844673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).