1-[4-[2-[fluoromethyl(methyl)amino]ethyl]piperazin-1-yl]ethanone

C10H20FN3O — CID 168923236

IUPAC1-[4-[2-[fluoromethyl(methyl)amino]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCN(C)CF)CC1
InChIInChI=1S/C10H20FN3O/c1-10(15)14-7-5-13(6-8-14)4-3-12(2)9-11/h3-9H2,1-2H3
InChIKeyVFUFLURFBVFZBL-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.01
Rot. Bonds4

About 1-[4-[2-[fluoromethyl(methyl)amino]ethyl]piperazin-1-yl]ethanone

1-[4-[2-[fluoromethyl(methyl)amino]ethyl]piperazin-1-yl]ethanone (PubChem CID 168923236) has the molecular formula C10H20FN3O and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-[4-[2-[fluoromethyl(methyl)amino]ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[fluoromethyl(methyl)amino]ethyl]piperazin-1-yl]ethanone
PubChem CID168923236
Molecular FormulaC10H20FN3O
Molecular Weight217.29 g/mol
Exact Mass217.16
IUPAC Name1-[4-[2-[fluoromethyl(methyl)amino]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCN(C)CF)CC1
InChIInChI=1S/C10H20FN3O/c1-10(15)14-7-5-13(6-8-14)4-3-12(2)9-11/h3-9H2,1-2H3
InChIKeyVFUFLURFBVFZBL-UHFFFAOYSA-N
XLogP0.01
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[fluoromethyl(methyl)amino]ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[fluoromethyl(methyl)amino]ethyl]piperazin-1-yl]ethanone (CID 168923236) is 1-[4-[2-[fluoromethyl(methyl)amino]ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[fluoromethyl(methyl)amino]ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[fluoromethyl(methyl)amino]ethyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCN(C)CF)CC1.
What is the InChIKey of 1-[4-[2-[fluoromethyl(methyl)amino]ethyl]piperazin-1-yl]ethanone?
The InChIKey is VFUFLURFBVFZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN3O/c1-10(15)14-7-5-13(6-8-14)4-3-12(2)9-11/h3-9H2,1-2H3.
What are the key properties of 1-[4-[2-[fluoromethyl(methyl)amino]ethyl]piperazin-1-yl]ethanone?
1-[4-[2-[fluoromethyl(methyl)amino]ethyl]piperazin-1-yl]ethanone has a molecular weight of 217.29 g/mol, XLogP of 0.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[fluoromethyl(methyl)amino]ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 168923236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).