1-(3-methyloxetan-3-yl)piperazine

C8H16N2O — CID 86705415

IUPAC1-(3-methyloxetan-3-yl)piperazine
SMILESCC1(N2CCNCC2)COC1
InChIInChI=1S/C8H16N2O/c1-8(6-11-7-8)10-4-2-9-3-5-10/h9H,2-7H2,1H3
InChIKeyMYRORAVWRLIYRS-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.32
Rot. Bonds1

About 1-(3-methyloxetan-3-yl)piperazine

1-(3-methyloxetan-3-yl)piperazine (PubChem CID 86705415) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-(3-methyloxetan-3-yl)piperazine.

Molecular Properties

Compound Name1-(3-methyloxetan-3-yl)piperazine
PubChem CID86705415
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-(3-methyloxetan-3-yl)piperazine
SMILESCC1(N2CCNCC2)COC1
InChIInChI=1S/C8H16N2O/c1-8(6-11-7-8)10-4-2-9-3-5-10/h9H,2-7H2,1H3
InChIKeyMYRORAVWRLIYRS-UHFFFAOYSA-N
XLogP-0.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyloxetan-3-yl)piperazine?
The IUPAC name of 1-(3-methyloxetan-3-yl)piperazine (CID 86705415) is 1-(3-methyloxetan-3-yl)piperazine.
What is the SMILES notation for 1-(3-methyloxetan-3-yl)piperazine?
The canonical SMILES for 1-(3-methyloxetan-3-yl)piperazine is CC1(N2CCNCC2)COC1.
What is the InChIKey of 1-(3-methyloxetan-3-yl)piperazine?
The InChIKey is MYRORAVWRLIYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(6-11-7-8)10-4-2-9-3-5-10/h9H,2-7H2,1H3.
What are the key properties of 1-(3-methyloxetan-3-yl)piperazine?
1-(3-methyloxetan-3-yl)piperazine has a molecular weight of 156.23 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyloxetan-3-yl)piperazine is sourced from PubChem (CID 86705415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).