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

C14H21FN2O — CID 121458782

IUPAC1-[(3-fluorophenyl)methyl]-4-(2-methoxyethyl)piperazine
SMILESCOCCN1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C14H21FN2O/c1-18-10-9-16-5-7-17(8-6-16)12-13-3-2-4-14(15)11-13/h2-4,11H,5-10,12H2,1H3
InChIKeyWLOQTGKPGTYSSI-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.59
Rot. Bonds5

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

1-[(3-fluorophenyl)methyl]-4-(2-methoxyethyl)piperazine (PubChem CID 121458782) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-(2-methoxyethyl)piperazine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-(2-methoxyethyl)piperazine
PubChem CID121458782
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-[(3-fluorophenyl)methyl]-4-(2-methoxyethyl)piperazine
SMILESCOCCN1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C14H21FN2O/c1-18-10-9-16-5-7-17(8-6-16)12-13-3-2-4-14(15)11-13/h2-4,11H,5-10,12H2,1H3
InChIKeyWLOQTGKPGTYSSI-UHFFFAOYSA-N
XLogP1.59
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-8-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 124790564
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
4-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)piperazine-1-carbothioamide
CID 2170942
1-(2-chloroethyl)-4-[(3-fluorophenyl)methyl]-1,4-diazepane
CID 63387530
1-[(3-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[5.5]undecan-2-one
CID 97450556
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648
4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 53191759
1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 792533
1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16887673
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709
4-ethyl-5-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethyl)-1,2,4-triazol-3-one
CID 121118123
1-[(3-fluorophenyl)methyl]-4-prop-2-ynylpiperazine
CID 138041794

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-(2-methoxyethyl)piperazine?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-(2-methoxyethyl)piperazine (CID 121458782) is 1-[(3-fluorophenyl)methyl]-4-(2-methoxyethyl)piperazine.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-(2-methoxyethyl)piperazine?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-(2-methoxyethyl)piperazine is COCCN1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-(2-methoxyethyl)piperazine?
The InChIKey is WLOQTGKPGTYSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-18-10-9-16-5-7-17(8-6-16)12-13-3-2-4-14(15)11-13/h2-4,11H,5-10,12H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-(2-methoxyethyl)piperazine?
1-[(3-fluorophenyl)methyl]-4-(2-methoxyethyl)piperazine has a molecular weight of 252.33 g/mol, XLogP of 1.59, 5 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-methoxyethyl)piperazine is sourced from PubChem (CID 121458782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).