4-(oxolan-2-ylmethylidene)piperidine

C10H17NO — CID 79879663

IUPAC4-(oxolan-2-ylmethylidene)piperidine
SMILESC(=C1CCNCC1)C1CCCO1
InChIInChI=1S/C10H17NO/c1-2-10(12-7-1)8-9-3-5-11-6-4-9/h8,10-11H,1-7H2
InChIKeyIAOKBCPGSKVFBD-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.48
Rot. Bonds1

About 4-(oxolan-2-ylmethylidene)piperidine

4-(oxolan-2-ylmethylidene)piperidine (PubChem CID 79879663) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethylidene)piperidine.

Molecular Properties

Compound Name4-(oxolan-2-ylmethylidene)piperidine
PubChem CID79879663
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-(oxolan-2-ylmethylidene)piperidine
SMILESC(=C1CCNCC1)C1CCCO1
InChIInChI=1S/C10H17NO/c1-2-10(12-7-1)8-9-3-5-11-6-4-9/h8,10-11H,1-7H2
InChIKeyIAOKBCPGSKVFBD-UHFFFAOYSA-N
XLogP1.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethylidene)piperidine?
The IUPAC name of 4-(oxolan-2-ylmethylidene)piperidine (CID 79879663) is 4-(oxolan-2-ylmethylidene)piperidine.
What is the SMILES notation for 4-(oxolan-2-ylmethylidene)piperidine?
The canonical SMILES for 4-(oxolan-2-ylmethylidene)piperidine is C(=C1CCNCC1)C1CCCO1.
What is the InChIKey of 4-(oxolan-2-ylmethylidene)piperidine?
The InChIKey is IAOKBCPGSKVFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-10(12-7-1)8-9-3-5-11-6-4-9/h8,10-11H,1-7H2.
What are the key properties of 4-(oxolan-2-ylmethylidene)piperidine?
4-(oxolan-2-ylmethylidene)piperidine has a molecular weight of 167.25 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethylidene)piperidine is sourced from PubChem (CID 79879663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).