1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine

C18H21FN2O — CID 792533

IUPAC1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C18H21FN2O/c1-22-18-8-3-2-7-17(18)21-11-9-20(10-12-21)14-15-5-4-6-16(19)13-15/h2-8,13H,9-12,14H2,1H3
InChIKeyZDFIYPWAJJKIPR-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.16
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine

1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 792533) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID792533
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C18H21FN2O/c1-22-18-8-3-2-7-17(18)21-11-9-20(10-12-21)14-15-5-4-6-16(19)13-15/h2-8,13H,9-12,14H2,1H3
InChIKeyZDFIYPWAJJKIPR-UHFFFAOYSA-N
XLogP3.16
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 26534618
6-[(3-fluorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960851
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
N-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111132617
(4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 108989464
3-(3-fluorophenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 146405224
[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 46054196
4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methoxypyrimidine
CID 146074484
5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-indazole
CID 166277175
1-[(3-fluorophenyl)methyl]-4-(2-methoxyethyl)piperazine
CID 121458782
N-cyclohexyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-methylbenzamide
CID 59144676
1-[(2,3-dimethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine;oxalic acid
CID 91969612

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine (CID 792533) is 1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is ZDFIYPWAJJKIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-22-18-8-3-2-7-17(18)21-11-9-20(10-12-21)14-15-5-4-6-16(19)13-15/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine?
1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 300.38 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 792533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).