1-(2-methylphenyl)-4-(oxetan-3-yl)piperazine

C14H20N2O — CID 138525322

IUPAC1-(2-methylphenyl)-4-(oxetan-3-yl)piperazine
SMILESCc1ccccc1N1CCN(C2COC2)CC1
InChIInChI=1S/C14H20N2O/c1-12-4-2-3-5-14(12)16-8-6-15(7-9-16)13-10-17-11-13/h2-5,13H,6-11H2,1H3
InChIKeyUSTHSWRTGOWYLJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.52
Rot. Bonds2

About 1-(2-methylphenyl)-4-(oxetan-3-yl)piperazine

1-(2-methylphenyl)-4-(oxetan-3-yl)piperazine (PubChem CID 138525322) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(2-methylphenyl)-4-(oxetan-3-yl)piperazine.

Molecular Properties

Compound Name1-(2-methylphenyl)-4-(oxetan-3-yl)piperazine
PubChem CID138525322
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(2-methylphenyl)-4-(oxetan-3-yl)piperazine
SMILESCc1ccccc1N1CCN(C2COC2)CC1
InChIInChI=1S/C14H20N2O/c1-12-4-2-3-5-14(12)16-8-6-15(7-9-16)13-10-17-11-13/h2-5,13H,6-11H2,1H3
InChIKeyUSTHSWRTGOWYLJ-UHFFFAOYSA-N
XLogP1.52
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-4-(oxetan-3-yl)piperazine?
The IUPAC name of 1-(2-methylphenyl)-4-(oxetan-3-yl)piperazine (CID 138525322) is 1-(2-methylphenyl)-4-(oxetan-3-yl)piperazine.
What is the SMILES notation for 1-(2-methylphenyl)-4-(oxetan-3-yl)piperazine?
The canonical SMILES for 1-(2-methylphenyl)-4-(oxetan-3-yl)piperazine is Cc1ccccc1N1CCN(C2COC2)CC1.
What is the InChIKey of 1-(2-methylphenyl)-4-(oxetan-3-yl)piperazine?
The InChIKey is USTHSWRTGOWYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-12-4-2-3-5-14(12)16-8-6-15(7-9-16)13-10-17-11-13/h2-5,13H,6-11H2,1H3.
What are the key properties of 1-(2-methylphenyl)-4-(oxetan-3-yl)piperazine?
1-(2-methylphenyl)-4-(oxetan-3-yl)piperazine has a molecular weight of 232.33 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-4-(oxetan-3-yl)piperazine is sourced from PubChem (CID 138525322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).