1-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-3-phenoxypropyl]piperazine

C26H29FN2O2 — CID 42867847

IUPAC1-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-3-phenoxypropyl]piperazine
SMILESCOc1cccc(C(CCN2CCN(c3ccc(F)cc3)CC2)Oc2ccccc2)c1
InChIInChI=1S/C26H29FN2O2/c1-30-25-9-5-6-21(20-25)26(31-24-7-3-2-4-8-24)14-15-28-16-18-29(19-17-28)23-12-10-22(27)11-13-23/h2-13,20,26H,14-19H2,1H3
InChIKeyULJVKQAQUXYLHT-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.17
Rot. Bonds8

About 1-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-3-phenoxypropyl]piperazine

1-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-3-phenoxypropyl]piperazine (PubChem CID 42867847) has the molecular formula C26H29FN2O2 and a molecular weight of 420.53 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-3-phenoxypropyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-3-phenoxypropyl]piperazine
PubChem CID42867847
Molecular FormulaC26H29FN2O2
Molecular Weight420.53 g/mol
Exact Mass420.22
IUPAC Name1-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-3-phenoxypropyl]piperazine
SMILESCOc1cccc(C(CCN2CCN(c3ccc(F)cc3)CC2)Oc2ccccc2)c1
InChIInChI=1S/C26H29FN2O2/c1-30-25-9-5-6-21(20-25)26(31-24-7-3-2-4-8-24)14-15-28-16-18-29(19-17-28)23-12-10-22(27)11-13-23/h2-13,20,26H,14-19H2,1H3
InChIKeyULJVKQAQUXYLHT-UHFFFAOYSA-N
XLogP5.17
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(3-methoxyphenoxy)-3-phenylpropyl]morpholine
CID 3074452
2-[4-[3-(4-fluorophenoxy)-3-phenylpropyl]piperazin-1-yl]pyrimidine
CID 58058011
1-[(3S)-3-(3-methoxyphenyl)-3-(3-methyl-4-propan-2-ylphenoxy)propyl]-4-methylpiperazine
CID 93000853
1-[3-(3-methoxyphenyl)-3-(3-methyl-4-propan-2-ylphenoxy)propyl]-4-methylpiperazine
CID 46071688
1-[(3R)-3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]-4-phenylpiperazine
CID 92998444
3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
CID 10711251
1-benzyl-4-[(3R)-3-(3-chlorophenyl)-3-(4-methoxyphenoxy)propyl]piperazine
CID 92998656
3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropoxy]-N,N-dimethylaniline
CID 42867723
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanone
CID 5090901
1-[3-(1,3-benzodioxol-5-yl)-3-(3-methyl-5-propan-2-ylphenoxy)propyl]-4-(4-fluorophenyl)piperazine
CID 42867967
4-[3-(1,3-benzodioxol-5-yloxy)-3-(3-methoxyphenyl)propyl]morpholine
CID 42867823
1-[3-(1,3-benzodioxol-5-yl)-3-phenoxypropyl]-4-(2-methoxyphenyl)piperazine
CID 101093529

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-3-phenoxypropyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-3-phenoxypropyl]piperazine (CID 42867847) is 1-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-3-phenoxypropyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-3-phenoxypropyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-3-phenoxypropyl]piperazine is COc1cccc(C(CCN2CCN(c3ccc(F)cc3)CC2)Oc2ccccc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-3-phenoxypropyl]piperazine?
The InChIKey is ULJVKQAQUXYLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2O2/c1-30-25-9-5-6-21(20-25)26(31-24-7-3-2-4-8-24)14-15-28-16-18-29(19-17-28)23-12-10-22(27)11-13-23/h2-13,20,26H,14-19H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-3-phenoxypropyl]piperazine?
1-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-3-phenoxypropyl]piperazine has a molecular weight of 420.53 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-3-phenoxypropyl]piperazine is sourced from PubChem (CID 42867847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).