1-ethyl-2-fluoro-4-(oxetan-3-yl)piperazine

C9H17FN2O — CID 166090608

IUPAC1-ethyl-2-fluoro-4-(oxetan-3-yl)piperazine
SMILESCCN1CCN(C2COC2)CC1F
InChIInChI=1S/C9H17FN2O/c1-2-11-3-4-12(5-9(11)10)8-6-13-7-8/h8-9H,2-7H2,1H3
InChIKeyDILOLLWVCKMNMJ-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.32
Rot. Bonds2

About 1-ethyl-2-fluoro-4-(oxetan-3-yl)piperazine

1-ethyl-2-fluoro-4-(oxetan-3-yl)piperazine (PubChem CID 166090608) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 1-ethyl-2-fluoro-4-(oxetan-3-yl)piperazine.

Molecular Properties

Compound Name1-ethyl-2-fluoro-4-(oxetan-3-yl)piperazine
PubChem CID166090608
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name1-ethyl-2-fluoro-4-(oxetan-3-yl)piperazine
SMILESCCN1CCN(C2COC2)CC1F
InChIInChI=1S/C9H17FN2O/c1-2-11-3-4-12(5-9(11)10)8-6-13-7-8/h8-9H,2-7H2,1H3
InChIKeyDILOLLWVCKMNMJ-UHFFFAOYSA-N
XLogP0.32
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.32
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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Related Compounds

1-(4-Fluorobutyl)-4-(2-methoxyethyl)piperazine
CID 70970407
1-[(2S)-2-fluoropropyl]-4-(2-methoxyethyl)piperazine
CID 71188956
1-[(1S)-1-fluoroethyl]-4-(2-methoxyethyl)piperazine
CID 89352986
1-Propan-2-yl-4-[2-(trifluoromethoxy)ethyl]piperazine
CID 124199559
1-[2-[(2R)-2-fluorobutoxy]ethyl]-4-methylpiperazine
CID 166537227
1-(2,2-Dimethylpropyl)-2-fluoro-4-(oxetan-3-yl)piperazine
CID 168833186
Ethane;1-propan-2-yl-4-[2-(trifluoromethoxy)ethyl]piperazine
CID 170709319
(3S)-3-(fluoromethyl)-4-propan-2-ylmorpholine
CID 176773892
3-(Fluoromethyl)-4-propan-2-ylmorpholine
CID 176871746
2-(Methoxymethyl)-4-methyl-1-propan-2-yl-6-(trifluoromethyl)piperazine
CID 176871756
4-(2-Fluoroethyl)-3,5-dimethylmorpholine
CID 130660973
1-(2-Fluoroethyl)-4-(2-methoxyethyl)piperazine
CID 165842313

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-fluoro-4-(oxetan-3-yl)piperazine?
The IUPAC name of 1-ethyl-2-fluoro-4-(oxetan-3-yl)piperazine (CID 166090608) is 1-ethyl-2-fluoro-4-(oxetan-3-yl)piperazine.
What is the SMILES notation for 1-ethyl-2-fluoro-4-(oxetan-3-yl)piperazine?
The canonical SMILES for 1-ethyl-2-fluoro-4-(oxetan-3-yl)piperazine is CCN1CCN(C2COC2)CC1F.
What is the InChIKey of 1-ethyl-2-fluoro-4-(oxetan-3-yl)piperazine?
The InChIKey is DILOLLWVCKMNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-2-11-3-4-12(5-9(11)10)8-6-13-7-8/h8-9H,2-7H2,1H3.
What are the key properties of 1-ethyl-2-fluoro-4-(oxetan-3-yl)piperazine?
1-ethyl-2-fluoro-4-(oxetan-3-yl)piperazine has a molecular weight of 188.25 g/mol, XLogP of 0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-fluoro-4-(oxetan-3-yl)piperazine is sourced from PubChem (CID 166090608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).