4-(oxiran-2-yl)piperidine

C7H13NO — CID 91177971

IUPAC4-(oxiran-2-yl)piperidine
SMILESC1CC(C2CO2)CCN1
InChIInChI=1S/C7H13NO/c1-3-8-4-2-6(1)7-5-9-7/h6-8H,1-5H2
InChIKeyJBTRCKBENPLNSH-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.38
Rot. Bonds1

About 4-(oxiran-2-yl)piperidine

4-(oxiran-2-yl)piperidine (PubChem CID 91177971) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 4-(oxiran-2-yl)piperidine.

Molecular Properties

Compound Name4-(oxiran-2-yl)piperidine
PubChem CID91177971
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name4-(oxiran-2-yl)piperidine
SMILESC1CC(C2CO2)CCN1
InChIInChI=1S/C7H13NO/c1-3-8-4-2-6(1)7-5-9-7/h6-8H,1-5H2
InChIKeyJBTRCKBENPLNSH-UHFFFAOYSA-N
XLogP0.38
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.38
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-yl)piperidine?
The IUPAC name of 4-(oxiran-2-yl)piperidine (CID 91177971) is 4-(oxiran-2-yl)piperidine.
What is the SMILES notation for 4-(oxiran-2-yl)piperidine?
The canonical SMILES for 4-(oxiran-2-yl)piperidine is C1CC(C2CO2)CCN1.
What is the InChIKey of 4-(oxiran-2-yl)piperidine?
The InChIKey is JBTRCKBENPLNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-8-4-2-6(1)7-5-9-7/h6-8H,1-5H2.
What are the key properties of 4-(oxiran-2-yl)piperidine?
4-(oxiran-2-yl)piperidine has a molecular weight of 127.19 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxiran-2-yl)piperidine is sourced from PubChem (CID 91177971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).