1-ethyl-4-(oxetan-3-ylmethyl)piperazine

C10H20N2O — CID 130627849

IUPAC1-ethyl-4-(oxetan-3-ylmethyl)piperazine
SMILESCCN1CCN(CC2COC2)CC1
InChIInChI=1S/C10H20N2O/c1-2-11-3-5-12(6-4-11)7-10-8-13-9-10/h10H,2-9H2,1H3
InChIKeyWNOHAQXCFKHXHQ-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.27
Rot. Bonds3

About 1-ethyl-4-(oxetan-3-ylmethyl)piperazine

1-ethyl-4-(oxetan-3-ylmethyl)piperazine (PubChem CID 130627849) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-ethyl-4-(oxetan-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-ethyl-4-(oxetan-3-ylmethyl)piperazine
PubChem CID130627849
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-ethyl-4-(oxetan-3-ylmethyl)piperazine
SMILESCCN1CCN(CC2COC2)CC1
InChIInChI=1S/C10H20N2O/c1-2-11-3-5-12(6-4-11)7-10-8-13-9-10/h10H,2-9H2,1H3
InChIKeyWNOHAQXCFKHXHQ-UHFFFAOYSA-N
XLogP0.27
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(oxetan-3-ylmethyl)piperazine?
The IUPAC name of 1-ethyl-4-(oxetan-3-ylmethyl)piperazine (CID 130627849) is 1-ethyl-4-(oxetan-3-ylmethyl)piperazine.
What is the SMILES notation for 1-ethyl-4-(oxetan-3-ylmethyl)piperazine?
The canonical SMILES for 1-ethyl-4-(oxetan-3-ylmethyl)piperazine is CCN1CCN(CC2COC2)CC1.
What is the InChIKey of 1-ethyl-4-(oxetan-3-ylmethyl)piperazine?
The InChIKey is WNOHAQXCFKHXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-11-3-5-12(6-4-11)7-10-8-13-9-10/h10H,2-9H2,1H3.
What are the key properties of 1-ethyl-4-(oxetan-3-ylmethyl)piperazine?
1-ethyl-4-(oxetan-3-ylmethyl)piperazine has a molecular weight of 184.28 g/mol, XLogP of 0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(oxetan-3-ylmethyl)piperazine is sourced from PubChem (CID 130627849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).