1-(4-fluorophenyl)-4-[4-(4-methoxyphenyl)butan-2-yl]piperazine

C21H27FN2O — CID 2846364

IUPAC1-(4-fluorophenyl)-4-[4-(4-methoxyphenyl)butan-2-yl]piperazine
SMILESCOc1ccc(CCC(C)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H27FN2O/c1-17(3-4-18-5-11-21(25-2)12-6-18)23-13-15-24(16-14-23)20-9-7-19(22)8-10-20/h5-12,17H,3-4,13-16H2,1-2H3
InChIKeyPYAZUZXYRQWQLD-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.98
Rot. Bonds6

About 1-(4-fluorophenyl)-4-[4-(4-methoxyphenyl)butan-2-yl]piperazine

1-(4-fluorophenyl)-4-[4-(4-methoxyphenyl)butan-2-yl]piperazine (PubChem CID 2846364) has the molecular formula C21H27FN2O and a molecular weight of 342.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[4-(4-methoxyphenyl)butan-2-yl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[4-(4-methoxyphenyl)butan-2-yl]piperazine
PubChem CID2846364
Molecular FormulaC21H27FN2O
Molecular Weight342.46 g/mol
Exact Mass342.21
IUPAC Name1-(4-fluorophenyl)-4-[4-(4-methoxyphenyl)butan-2-yl]piperazine
SMILESCOc1ccc(CCC(C)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H27FN2O/c1-17(3-4-18-5-11-21(25-2)12-6-18)23-13-15-24(16-14-23)20-9-7-19(22)8-10-20/h5-12,17H,3-4,13-16H2,1-2H3
InChIKeyPYAZUZXYRQWQLD-UHFFFAOYSA-N
XLogP3.98
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 7047274
1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)ethyl]piperazine
CID 15527072
4-[4-(4-methoxyphenyl)butan-2-yl]morpholine
CID 2846261
1-butan-2-yl-4-(4-methoxyphenyl)piperazine;dihydrochloride
CID 20519338
1-(2-ethoxyphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine
CID 40501303
1-(2,5-dimethylphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine
CID 7441278
4-(4-fluorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111024115
N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18078500
1-[(1S)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-4-(4-methoxyphenyl)piperazine
CID 1446489
3-[4-(4-fluorophenyl)piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethylamino]cyclobut-3-ene-1,2-dione
CID 53370738
5-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one
CID 110297793
N-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]pentan-1-amine
CID 62424032

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[4-(4-methoxyphenyl)butan-2-yl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[4-(4-methoxyphenyl)butan-2-yl]piperazine (CID 2846364) is 1-(4-fluorophenyl)-4-[4-(4-methoxyphenyl)butan-2-yl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[4-(4-methoxyphenyl)butan-2-yl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[4-(4-methoxyphenyl)butan-2-yl]piperazine is COc1ccc(CCC(C)N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[4-(4-methoxyphenyl)butan-2-yl]piperazine?
The InChIKey is PYAZUZXYRQWQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O/c1-17(3-4-18-5-11-21(25-2)12-6-18)23-13-15-24(16-14-23)20-9-7-19(22)8-10-20/h5-12,17H,3-4,13-16H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-4-[4-(4-methoxyphenyl)butan-2-yl]piperazine?
1-(4-fluorophenyl)-4-[4-(4-methoxyphenyl)butan-2-yl]piperazine has a molecular weight of 342.46 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[4-(4-methoxyphenyl)butan-2-yl]piperazine is sourced from PubChem (CID 2846364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).