1-[2-fluoro-4-(2-methoxyethoxymethyl)phenyl]piperazine

C14H21FN2O2 — CID 20785262

IUPAC1-[2-fluoro-4-(2-methoxyethoxymethyl)phenyl]piperazine
SMILESCOCCOCc1ccc(N2CCNCC2)c(F)c1
InChIInChI=1S/C14H21FN2O2/c1-18-8-9-19-11-12-2-3-14(13(15)10-12)17-6-4-16-5-7-17/h2-3,10,16H,4-9,11H2,1H3
InChIKeyYXINDBWNNWVXJP-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.40
Rot. Bonds6

About 1-[2-fluoro-4-(2-methoxyethoxymethyl)phenyl]piperazine

1-[2-fluoro-4-(2-methoxyethoxymethyl)phenyl]piperazine (PubChem CID 20785262) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-[2-fluoro-4-(2-methoxyethoxymethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[2-fluoro-4-(2-methoxyethoxymethyl)phenyl]piperazine
PubChem CID20785262
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name1-[2-fluoro-4-(2-methoxyethoxymethyl)phenyl]piperazine
SMILESCOCCOCc1ccc(N2CCNCC2)c(F)c1
InChIInChI=1S/C14H21FN2O2/c1-18-8-9-19-11-12-2-3-14(13(15)10-12)17-6-4-16-5-7-17/h2-3,10,16H,4-9,11H2,1H3
InChIKeyYXINDBWNNWVXJP-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-Fluoro-4-(4-methylpiperazin-1-yl)phenyl)methanol
CID 43121028
N-[(4-fluorophenyl)methyl]-4-[(2S)-morpholin-2-yl]aniline
CID 68325418
4-[(2S)-morpholin-2-yl]-N-(2-phenylethyl)aniline
CID 68325836
1-[4-(Methoxymethyl)phenyl]piperazine
CID 19958502
2-[4-(ethoxymethyl)anilino]-N-propylpropanamide
CID 75381689
4-fluoro-N-[(E)-3-methyl-4-phenylmethoxybut-2-enyl]aniline
CID 176426886
4-(tert-butoxymethyl)-N-(3-methylbutan-2-yl)aniline
CID 132222941
N-(2,4-difluorophenyl)-2-[3-(phenylmethoxymethyl)piperidin-1-yl]acetamide
CID 52992943
N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-4-(ethoxymethyl)aniline
CID 100686166
N-[(1-fluorocyclopropyl)methyl]-3,4-dihydro-1H-isochromen-6-amine
CID 137956069
p-Hexadecylaminobenzyl Acetate
CID 20344503
2-[2-Fluoro-4-(hexadecylamino)phenyl]-1,3-dioxolane
CID 20536456

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(2-methoxyethoxymethyl)phenyl]piperazine?
The IUPAC name of 1-[2-fluoro-4-(2-methoxyethoxymethyl)phenyl]piperazine (CID 20785262) is 1-[2-fluoro-4-(2-methoxyethoxymethyl)phenyl]piperazine.
What is the SMILES notation for 1-[2-fluoro-4-(2-methoxyethoxymethyl)phenyl]piperazine?
The canonical SMILES for 1-[2-fluoro-4-(2-methoxyethoxymethyl)phenyl]piperazine is COCCOCc1ccc(N2CCNCC2)c(F)c1.
What is the InChIKey of 1-[2-fluoro-4-(2-methoxyethoxymethyl)phenyl]piperazine?
The InChIKey is YXINDBWNNWVXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-18-8-9-19-11-12-2-3-14(13(15)10-12)17-6-4-16-5-7-17/h2-3,10,16H,4-9,11H2,1H3.
What are the key properties of 1-[2-fluoro-4-(2-methoxyethoxymethyl)phenyl]piperazine?
1-[2-fluoro-4-(2-methoxyethoxymethyl)phenyl]piperazine has a molecular weight of 268.33 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(2-methoxyethoxymethyl)phenyl]piperazine is sourced from PubChem (CID 20785262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).