1-(6-methyl-1,2-dihydropyridin-3-yl)-4-(oxetan-3-yl)piperazine

C13H21N3O — CID 118423062

IUPAC1-(6-methyl-1,2-dihydropyridin-3-yl)-4-(oxetan-3-yl)piperazine
SMILESCC1=CC=C(N2CCN(C3COC3)CC2)CN1
InChIInChI=1S/C13H21N3O/c1-11-2-3-12(8-14-11)15-4-6-16(7-5-15)13-9-17-10-13/h2-3,13-14H,4-10H2,1H3
InChIKeyXJSXRAJIASKVRK-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.39
Rot. Bonds2

About 1-(6-methyl-1,2-dihydropyridin-3-yl)-4-(oxetan-3-yl)piperazine

1-(6-methyl-1,2-dihydropyridin-3-yl)-4-(oxetan-3-yl)piperazine (PubChem CID 118423062) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(6-methyl-1,2-dihydropyridin-3-yl)-4-(oxetan-3-yl)piperazine.

Molecular Properties

Compound Name1-(6-methyl-1,2-dihydropyridin-3-yl)-4-(oxetan-3-yl)piperazine
PubChem CID118423062
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-(6-methyl-1,2-dihydropyridin-3-yl)-4-(oxetan-3-yl)piperazine
SMILESCC1=CC=C(N2CCN(C3COC3)CC2)CN1
InChIInChI=1S/C13H21N3O/c1-11-2-3-12(8-14-11)15-4-6-16(7-5-15)13-9-17-10-13/h2-3,13-14H,4-10H2,1H3
InChIKeyXJSXRAJIASKVRK-UHFFFAOYSA-N
XLogP0.39
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1,2-dihydropyridin-3-yl)-4-(oxetan-3-yl)piperazine?
The IUPAC name of 1-(6-methyl-1,2-dihydropyridin-3-yl)-4-(oxetan-3-yl)piperazine (CID 118423062) is 1-(6-methyl-1,2-dihydropyridin-3-yl)-4-(oxetan-3-yl)piperazine.
What is the SMILES notation for 1-(6-methyl-1,2-dihydropyridin-3-yl)-4-(oxetan-3-yl)piperazine?
The canonical SMILES for 1-(6-methyl-1,2-dihydropyridin-3-yl)-4-(oxetan-3-yl)piperazine is CC1=CC=C(N2CCN(C3COC3)CC2)CN1.
What is the InChIKey of 1-(6-methyl-1,2-dihydropyridin-3-yl)-4-(oxetan-3-yl)piperazine?
The InChIKey is XJSXRAJIASKVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11-2-3-12(8-14-11)15-4-6-16(7-5-15)13-9-17-10-13/h2-3,13-14H,4-10H2,1H3.
What are the key properties of 1-(6-methyl-1,2-dihydropyridin-3-yl)-4-(oxetan-3-yl)piperazine?
1-(6-methyl-1,2-dihydropyridin-3-yl)-4-(oxetan-3-yl)piperazine has a molecular weight of 235.33 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-1,2-dihydropyridin-3-yl)-4-(oxetan-3-yl)piperazine is sourced from PubChem (CID 118423062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).