1-benzyl-4-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethenyl]piperazine

C26H27FN2O — CID 58422761

IUPAC1-benzyl-4-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethenyl]piperazine
SMILESC=C(c1ccc(OCc2ccc(F)cc2)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H27FN2O/c1-21(29-17-15-28(16-18-29)19-22-5-3-2-4-6-22)24-9-13-26(14-10-24)30-20-23-7-11-25(27)12-8-23/h2-14H,1,15-20H2
InChIKeyRNYATTXAFODOAG-UHFFFAOYSA-N
MW402.51 g/mol
LogP5.19
Rot. Bonds7

About 1-benzyl-4-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethenyl]piperazine

1-benzyl-4-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethenyl]piperazine (PubChem CID 58422761) has the molecular formula C26H27FN2O and a molecular weight of 402.51 g/mol. Its IUPAC name is 1-benzyl-4-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethenyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethenyl]piperazine
PubChem CID58422761
Molecular FormulaC26H27FN2O
Molecular Weight402.51 g/mol
Exact Mass402.21
IUPAC Name1-benzyl-4-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethenyl]piperazine
SMILESC=C(c1ccc(OCc2ccc(F)cc2)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H27FN2O/c1-21(29-17-15-28(16-18-29)19-22-5-3-2-4-6-22)24-9-13-26(14-10-24)30-20-23-7-11-25(27)12-8-23/h2-14H,1,15-20H2
InChIKeyRNYATTXAFODOAG-UHFFFAOYSA-N
XLogP5.19
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.51
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzylpiperazin-1-yl)-[4-[(4-chlorophenyl)methoxy]phenyl]methanethione
CID 4207157
1,4-bis[(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 6480590
[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 59382130
(4-benzylpiperazin-1-yl)-[4-[(2-fluorophenyl)methoxy]phenyl]methanethione
CID 3390791
[4-[(4-fluorophenoxy)methyl]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 19585133
(4-benzylpiperazin-1-yl)-[3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methanone
CID 16925732
2-[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 141306651
4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]benzoic acid
CID 10244950
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;hydrochloride
CID 163326478
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
N-(1-benzyl-4-hydroxyazepan-3-yl)-4-[(4-fluorophenyl)methoxy]benzamide
CID 74418879
(4-benzylpiperazin-1-yl)-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methanethione
CID 126373362

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethenyl]piperazine?
The IUPAC name of 1-benzyl-4-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethenyl]piperazine (CID 58422761) is 1-benzyl-4-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethenyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethenyl]piperazine?
The canonical SMILES for 1-benzyl-4-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethenyl]piperazine is C=C(c1ccc(OCc2ccc(F)cc2)cc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethenyl]piperazine?
The InChIKey is RNYATTXAFODOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O/c1-21(29-17-15-28(16-18-29)19-22-5-3-2-4-6-22)24-9-13-26(14-10-24)30-20-23-7-11-25(27)12-8-23/h2-14H,1,15-20H2.
What are the key properties of 1-benzyl-4-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethenyl]piperazine?
1-benzyl-4-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethenyl]piperazine has a molecular weight of 402.51 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethenyl]piperazine is sourced from PubChem (CID 58422761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).