[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-piperazin-1-ylmethanone

C15H21FN2O3 — CID 119401463

IUPAC[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-piperazin-1-ylmethanone
SMILESCOCCOCc1cc(C(=O)N2CCNCC2)ccc1F
InChIInChI=1S/C15H21FN2O3/c1-20-8-9-21-11-13-10-12(2-3-14(13)16)15(19)18-6-4-17-5-7-18/h2-3,10,17H,4-9,11H2,1H3
InChIKeyYNEYUERNXIWIEP-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.03
Rot. Bonds6

About [4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-piperazin-1-ylmethanone

[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-piperazin-1-ylmethanone (PubChem CID 119401463) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is [4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-piperazin-1-ylmethanone
PubChem CID119401463
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-piperazin-1-ylmethanone
SMILESCOCCOCc1cc(C(=O)N2CCNCC2)ccc1F
InChIInChI=1S/C15H21FN2O3/c1-20-8-9-21-11-13-10-12(2-3-14(13)16)15(19)18-6-4-17-5-7-18/h2-3,10,17H,4-9,11H2,1H3
InChIKeyYNEYUERNXIWIEP-UHFFFAOYSA-N
XLogP1.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.03
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

[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996957
3,9-diazabicyclo[4.2.1]nonan-3-yl-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone;hydrochloride
CID 119636598
[(3R)-3-aminopyrrolidin-1-yl]-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone
CID 119410772
[(3R)-3-aminopyrrolidin-1-yl]-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone;hydrochloride
CID 119410771
[2-(aminomethyl)piperidin-1-yl]-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone
CID 119467493
[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649914
[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[4-fluoro-3-(methoxymethyl)phenyl]methanone
CID 124589244
(4-fluoro-3-methylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119032534
(2R)-1-[4-[4-fluoro-3-(methoxymethyl)benzoyl]piperazin-1-yl]-2-hydroxypropan-1-one
CID 97330717
4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methoxyethoxymethyl)benzamide
CID 120947477
[4-(3-methoxypropoxy)phenyl]-piperazin-1-ylmethanone
CID 119401946
4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methylpiperidin-4-yl)benzamide
CID 120598082

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-piperazin-1-ylmethanone (CID 119401463) is [4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-piperazin-1-ylmethanone is COCCOCc1cc(C(=O)N2CCNCC2)ccc1F.
What is the InChIKey of [4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-piperazin-1-ylmethanone?
The InChIKey is YNEYUERNXIWIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-20-8-9-21-11-13-10-12(2-3-14(13)16)15(19)18-6-4-17-5-7-18/h2-3,10,17H,4-9,11H2,1H3.
What are the key properties of [4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-piperazin-1-ylmethanone?
[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-piperazin-1-ylmethanone has a molecular weight of 296.34 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 119401463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).