1-[2-[(3-fluoro-4-methoxyphenyl)methoxy]ethyl]piperazine

C14H21FN2O2 — CID 98018148

IUPAC1-[2-[(3-fluoro-4-methoxyphenyl)methoxy]ethyl]piperazine
SMILESCOc1ccc(COCCN2CCNCC2)cc1F
InChIInChI=1S/C14H21FN2O2/c1-18-14-3-2-12(10-13(14)15)11-19-9-8-17-6-4-16-5-7-17/h2-3,10,16H,4-9,11H2,1H3
InChIKeySHEMOZJVWMXAPJ-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.26
Rot. Bonds6

About 1-[2-[(3-fluoro-4-methoxyphenyl)methoxy]ethyl]piperazine

1-[2-[(3-fluoro-4-methoxyphenyl)methoxy]ethyl]piperazine (PubChem CID 98018148) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-[2-[(3-fluoro-4-methoxyphenyl)methoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[(3-fluoro-4-methoxyphenyl)methoxy]ethyl]piperazine
PubChem CID98018148
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name1-[2-[(3-fluoro-4-methoxyphenyl)methoxy]ethyl]piperazine
SMILESCOc1ccc(COCCN2CCNCC2)cc1F
InChIInChI=1S/C14H21FN2O2/c1-18-14-3-2-12(10-13(14)15)11-19-9-8-17-6-4-16-5-7-17/h2-3,10,16H,4-9,11H2,1H3
InChIKeySHEMOZJVWMXAPJ-UHFFFAOYSA-N
XLogP1.26
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-[(3-fluoro-4-methoxyphenyl)methoxy]ethyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluoro-4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119390744
1-[2-[1-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]ethyl]piperazine
CID 167798270
3-fluoro-4-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)aniline
CID 115230323
1-[3-(4-ethoxy-3-fluorophenyl)propyl]piperazine
CID 95471785
1-[2-[2-methoxy-5-(methoxymethyl)phenyl]ethyl]piperazine
CID 117415778
4-[(3-fluoro-4-methoxyphenyl)methoxy]piperidine
CID 43167840
1-(2-phenylmethoxyethyl)piperazine;dihydrochloride
CID 154704526
1-[2-(3-fluoro-5-methoxy-4-methylphenyl)ethyl]piperazine
CID 117384405
3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 43251327
1-[2-(3-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine
CID 117424695
methyl 3-(2-piperazin-1-ylethoxymethyl)benzoate
CID 82353020
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3-piperidin-1-ylpropyl)piperazine
CID 71886708

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-fluoro-4-methoxyphenyl)methoxy]ethyl]piperazine?
The IUPAC name of 1-[2-[(3-fluoro-4-methoxyphenyl)methoxy]ethyl]piperazine (CID 98018148) is 1-[2-[(3-fluoro-4-methoxyphenyl)methoxy]ethyl]piperazine.
What is the SMILES notation for 1-[2-[(3-fluoro-4-methoxyphenyl)methoxy]ethyl]piperazine?
The canonical SMILES for 1-[2-[(3-fluoro-4-methoxyphenyl)methoxy]ethyl]piperazine is COc1ccc(COCCN2CCNCC2)cc1F.
What is the InChIKey of 1-[2-[(3-fluoro-4-methoxyphenyl)methoxy]ethyl]piperazine?
The InChIKey is SHEMOZJVWMXAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-18-14-3-2-12(10-13(14)15)11-19-9-8-17-6-4-16-5-7-17/h2-3,10,16H,4-9,11H2,1H3.
What are the key properties of 1-[2-[(3-fluoro-4-methoxyphenyl)methoxy]ethyl]piperazine?
1-[2-[(3-fluoro-4-methoxyphenyl)methoxy]ethyl]piperazine has a molecular weight of 268.33 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-fluoro-4-methoxyphenyl)methoxy]ethyl]piperazine is sourced from PubChem (CID 98018148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).