1-[(3-methyloxiran-2-yl)methyl]piperazine

C8H16N2O — CID 57304312

IUPAC1-[(3-methyloxiran-2-yl)methyl]piperazine
SMILESCC1OC1CN1CCNCC1
InChIInChI=1S/C8H16N2O/c1-7-8(11-7)6-10-4-2-9-3-5-10/h7-9H,2-6H2,1H3
InChIKeyJJNXAOWIOMWXTO-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.32
Rot. Bonds2

About 1-[(3-methyloxiran-2-yl)methyl]piperazine

1-[(3-methyloxiran-2-yl)methyl]piperazine (PubChem CID 57304312) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-[(3-methyloxiran-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-methyloxiran-2-yl)methyl]piperazine
PubChem CID57304312
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-[(3-methyloxiran-2-yl)methyl]piperazine
SMILESCC1OC1CN1CCNCC1
InChIInChI=1S/C8H16N2O/c1-7-8(11-7)6-10-4-2-9-3-5-10/h7-9H,2-6H2,1H3
InChIKeyJJNXAOWIOMWXTO-UHFFFAOYSA-N
XLogP-0.32
TPSA27.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyloxiran-2-yl)methyl]piperazine?
The IUPAC name of 1-[(3-methyloxiran-2-yl)methyl]piperazine (CID 57304312) is 1-[(3-methyloxiran-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(3-methyloxiran-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(3-methyloxiran-2-yl)methyl]piperazine is CC1OC1CN1CCNCC1.
What is the InChIKey of 1-[(3-methyloxiran-2-yl)methyl]piperazine?
The InChIKey is JJNXAOWIOMWXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7-8(11-7)6-10-4-2-9-3-5-10/h7-9H,2-6H2,1H3.
What are the key properties of 1-[(3-methyloxiran-2-yl)methyl]piperazine?
1-[(3-methyloxiran-2-yl)methyl]piperazine has a molecular weight of 156.23 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyloxiran-2-yl)methyl]piperazine is sourced from PubChem (CID 57304312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).