1-(3-fluoro-5-methylpiperidin-2-yl)-4-(oxetan-3-yl)piperazine

C13H24FN3O — CID 139353487

IUPAC1-(3-fluoro-5-methylpiperidin-2-yl)-4-(oxetan-3-yl)piperazine
SMILESCC1CNC(N2CCN(C3COC3)CC2)C(F)C1
InChIInChI=1S/C13H24FN3O/c1-10-6-12(14)13(15-7-10)17-4-2-16(3-5-17)11-8-18-9-11/h10-13,15H,2-9H2,1H3
InChIKeyAZXYVUWMZSFREE-UHFFFAOYSA-N
MW257.35 g/mol
LogP0.30
Rot. Bonds2

About 1-(3-fluoro-5-methylpiperidin-2-yl)-4-(oxetan-3-yl)piperazine

1-(3-fluoro-5-methylpiperidin-2-yl)-4-(oxetan-3-yl)piperazine (PubChem CID 139353487) has the molecular formula C13H24FN3O and a molecular weight of 257.35 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylpiperidin-2-yl)-4-(oxetan-3-yl)piperazine.

Molecular Properties

Compound Name1-(3-fluoro-5-methylpiperidin-2-yl)-4-(oxetan-3-yl)piperazine
PubChem CID139353487
Molecular FormulaC13H24FN3O
Molecular Weight257.35 g/mol
Exact Mass257.19
IUPAC Name1-(3-fluoro-5-methylpiperidin-2-yl)-4-(oxetan-3-yl)piperazine
SMILESCC1CNC(N2CCN(C3COC3)CC2)C(F)C1
InChIInChI=1S/C13H24FN3O/c1-10-6-12(14)13(15-7-10)17-4-2-16(3-5-17)11-8-18-9-11/h10-13,15H,2-9H2,1H3
InChIKeyAZXYVUWMZSFREE-UHFFFAOYSA-N
XLogP0.30
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylpiperidin-2-yl)-4-(oxetan-3-yl)piperazine?
The IUPAC name of 1-(3-fluoro-5-methylpiperidin-2-yl)-4-(oxetan-3-yl)piperazine (CID 139353487) is 1-(3-fluoro-5-methylpiperidin-2-yl)-4-(oxetan-3-yl)piperazine.
What is the SMILES notation for 1-(3-fluoro-5-methylpiperidin-2-yl)-4-(oxetan-3-yl)piperazine?
The canonical SMILES for 1-(3-fluoro-5-methylpiperidin-2-yl)-4-(oxetan-3-yl)piperazine is CC1CNC(N2CCN(C3COC3)CC2)C(F)C1.
What is the InChIKey of 1-(3-fluoro-5-methylpiperidin-2-yl)-4-(oxetan-3-yl)piperazine?
The InChIKey is AZXYVUWMZSFREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN3O/c1-10-6-12(14)13(15-7-10)17-4-2-16(3-5-17)11-8-18-9-11/h10-13,15H,2-9H2,1H3.
What are the key properties of 1-(3-fluoro-5-methylpiperidin-2-yl)-4-(oxetan-3-yl)piperazine?
1-(3-fluoro-5-methylpiperidin-2-yl)-4-(oxetan-3-yl)piperazine has a molecular weight of 257.35 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylpiperidin-2-yl)-4-(oxetan-3-yl)piperazine is sourced from PubChem (CID 139353487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).