4-(oxiran-2-ylmethyl)piperidine

C8H15NO — CID 55300278

IUPAC4-(oxiran-2-ylmethyl)piperidine
SMILESC1CC(CC2CO2)CCN1
InChIInChI=1S/C8H15NO/c1-3-9-4-2-7(1)5-8-6-10-8/h7-9H,1-6H2
InChIKeyMSZZYLWFCRBMCT-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.77
Rot. Bonds2

About 4-(oxiran-2-ylmethyl)piperidine

4-(oxiran-2-ylmethyl)piperidine (PubChem CID 55300278) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4-(oxiran-2-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(oxiran-2-ylmethyl)piperidine
PubChem CID55300278
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4-(oxiran-2-ylmethyl)piperidine
SMILESC1CC(CC2CO2)CCN1
InChIInChI=1S/C8H15NO/c1-3-9-4-2-7(1)5-8-6-10-8/h7-9H,1-6H2
InChIKeyMSZZYLWFCRBMCT-UHFFFAOYSA-N
XLogP0.77
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-(oxiran-2-ylmethyl)piperidine?
The IUPAC name of 4-(oxiran-2-ylmethyl)piperidine (CID 55300278) is 4-(oxiran-2-ylmethyl)piperidine.
What is the SMILES notation for 4-(oxiran-2-ylmethyl)piperidine?
The canonical SMILES for 4-(oxiran-2-ylmethyl)piperidine is C1CC(CC2CO2)CCN1.
What is the InChIKey of 4-(oxiran-2-ylmethyl)piperidine?
The InChIKey is MSZZYLWFCRBMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-9-4-2-7(1)5-8-6-10-8/h7-9H,1-6H2.
What are the key properties of 4-(oxiran-2-ylmethyl)piperidine?
4-(oxiran-2-ylmethyl)piperidine has a molecular weight of 141.21 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxiran-2-ylmethyl)piperidine is sourced from PubChem (CID 55300278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).