1-[(4-fluorophenyl)methyl]-4-(2-methyl-1-phenylpropyl)piperazine

C21H27FN2 — CID 138460249

IUPAC1-[(4-fluorophenyl)methyl]-4-(2-methyl-1-phenylpropyl)piperazine
SMILESCC(C)C(c1ccccc1)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H27FN2/c1-17(2)21(19-6-4-3-5-7-19)24-14-12-23(13-15-24)16-18-8-10-20(22)11-9-18/h3-11,17,21H,12-16H2,1-2H3
InChIKeyFRYFRXRKNOGARX-UHFFFAOYSA-N
MW326.46 g/mol
LogP4.34
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-4-(2-methyl-1-phenylpropyl)piperazine

1-[(4-fluorophenyl)methyl]-4-(2-methyl-1-phenylpropyl)piperazine (PubChem CID 138460249) has the molecular formula C21H27FN2 and a molecular weight of 326.46 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-(2-methyl-1-phenylpropyl)piperazine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-(2-methyl-1-phenylpropyl)piperazine
PubChem CID138460249
Molecular FormulaC21H27FN2
Molecular Weight326.46 g/mol
Exact Mass326.22
IUPAC Name1-[(4-fluorophenyl)methyl]-4-(2-methyl-1-phenylpropyl)piperazine
SMILESCC(C)C(c1ccccc1)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H27FN2/c1-17(2)21(19-6-4-3-5-7-19)24-14-12-23(13-15-24)16-18-8-10-20(22)11-9-18/h3-11,17,21H,12-16H2,1-2H3
InChIKeyFRYFRXRKNOGARX-UHFFFAOYSA-N
XLogP4.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 881940
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 6938115
1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 3721618
1-benzyl-4-[(2R)-butan-2-yl]piperazine
CID 2248321
N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 754317
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 17496772
(2R)-2-(4-benzylpiperazin-1-yl)propan-1-ol
CID 129395668
1-benzyl-4-[(1R)-1,2-diphenylethyl]piperazine
CID 71276997
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)piperazine
CID 1377218

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-(2-methyl-1-phenylpropyl)piperazine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-(2-methyl-1-phenylpropyl)piperazine (CID 138460249) is 1-[(4-fluorophenyl)methyl]-4-(2-methyl-1-phenylpropyl)piperazine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-(2-methyl-1-phenylpropyl)piperazine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-(2-methyl-1-phenylpropyl)piperazine is CC(C)C(c1ccccc1)N1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-(2-methyl-1-phenylpropyl)piperazine?
The InChIKey is FRYFRXRKNOGARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2/c1-17(2)21(19-6-4-3-5-7-19)24-14-12-23(13-15-24)16-18-8-10-20(22)11-9-18/h3-11,17,21H,12-16H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-(2-methyl-1-phenylpropyl)piperazine?
1-[(4-fluorophenyl)methyl]-4-(2-methyl-1-phenylpropyl)piperazine has a molecular weight of 326.46 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-(2-methyl-1-phenylpropyl)piperazine is sourced from PubChem (CID 138460249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).