4-benzyl-2-fluoro-1-methylpiperazine

C12H17FN2 — CID 57015746

IUPAC4-benzyl-2-fluoro-1-methylpiperazine
SMILESCN1CCN(Cc2ccccc2)CC1F
InChIInChI=1S/C12H17FN2/c1-14-7-8-15(10-12(14)13)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKeyGFRLWEYVOHABJJ-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.73
Rot. Bonds2

About 4-benzyl-2-fluoro-1-methylpiperazine

4-benzyl-2-fluoro-1-methylpiperazine (PubChem CID 57015746) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 4-benzyl-2-fluoro-1-methylpiperazine.

Molecular Properties

Compound Name4-benzyl-2-fluoro-1-methylpiperazine
PubChem CID57015746
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name4-benzyl-2-fluoro-1-methylpiperazine
SMILESCN1CCN(Cc2ccccc2)CC1F
InChIInChI=1S/C12H17FN2/c1-14-7-8-15(10-12(14)13)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKeyGFRLWEYVOHABJJ-UHFFFAOYSA-N
XLogP1.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
(1S)-1-(4-benzyl-1-methylpiperazin-2-yl)-2-methylpropan-1-amine
CID 82380060
4-benzyl-1-methyl-2-(2-methylsulfanylethyl)piperazine
CID 69210671
3-(4-benzyl-1-methylpiperazin-2-yl)propan-1-amine
CID 82383657
[(2S)-4-benzyl-1-methylpiperazin-2-yl] acetate
CID 66769581
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
(3aS,7aR)-5-benzyl-1-methyl-3,3a,4,6,7,7a-hexahydropyrrolo[3,2-c]pyridin-2-one
CID 170698594
(2R)-1,4-dibenzyl-2-(fluoromethyl)piperazine
CID 57436101
3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599
(3R)-1-benzyl-3-methylpyrrolidine;propane
CID 159003320
1-benzyl-3-methylpiperidine
CID 2794856
1-benzyl-3-ethylpyrrolidine
CID 12648208

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-fluoro-1-methylpiperazine?
The IUPAC name of 4-benzyl-2-fluoro-1-methylpiperazine (CID 57015746) is 4-benzyl-2-fluoro-1-methylpiperazine.
What is the SMILES notation for 4-benzyl-2-fluoro-1-methylpiperazine?
The canonical SMILES for 4-benzyl-2-fluoro-1-methylpiperazine is CN1CCN(Cc2ccccc2)CC1F.
What is the InChIKey of 4-benzyl-2-fluoro-1-methylpiperazine?
The InChIKey is GFRLWEYVOHABJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-14-7-8-15(10-12(14)13)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3.
What are the key properties of 4-benzyl-2-fluoro-1-methylpiperazine?
4-benzyl-2-fluoro-1-methylpiperazine has a molecular weight of 208.28 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-fluoro-1-methylpiperazine is sourced from PubChem (CID 57015746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).