4-(1-oxaspiro[4.5]decan-2-ylmethylidene)piperidine

C15H25NO — CID 102902804

IUPAC4-(1-oxaspiro[4.5]decan-2-ylmethylidene)piperidine
SMILESC(=C1CCNCC1)C1CCC2(CCCCC2)O1
InChIInChI=1S/C15H25NO/c1-2-7-15(8-3-1)9-4-14(17-15)12-13-5-10-16-11-6-13/h12,14,16H,1-11H2
InChIKeyWTTHVZZMUBCNCN-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.18
Rot. Bonds1

About 4-(1-oxaspiro[4.5]decan-2-ylmethylidene)piperidine

4-(1-oxaspiro[4.5]decan-2-ylmethylidene)piperidine (PubChem CID 102902804) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-(1-oxaspiro[4.5]decan-2-ylmethylidene)piperidine.

Molecular Properties

Compound Name4-(1-oxaspiro[4.5]decan-2-ylmethylidene)piperidine
PubChem CID102902804
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-(1-oxaspiro[4.5]decan-2-ylmethylidene)piperidine
SMILESC(=C1CCNCC1)C1CCC2(CCCCC2)O1
InChIInChI=1S/C15H25NO/c1-2-7-15(8-3-1)9-4-14(17-15)12-13-5-10-16-11-6-13/h12,14,16H,1-11H2
InChIKeyWTTHVZZMUBCNCN-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.18
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-(1-oxaspiro[4.5]decan-2-ylmethylidene)piperidine?
The IUPAC name of 4-(1-oxaspiro[4.5]decan-2-ylmethylidene)piperidine (CID 102902804) is 4-(1-oxaspiro[4.5]decan-2-ylmethylidene)piperidine.
What is the SMILES notation for 4-(1-oxaspiro[4.5]decan-2-ylmethylidene)piperidine?
The canonical SMILES for 4-(1-oxaspiro[4.5]decan-2-ylmethylidene)piperidine is C(=C1CCNCC1)C1CCC2(CCCCC2)O1.
What is the InChIKey of 4-(1-oxaspiro[4.5]decan-2-ylmethylidene)piperidine?
The InChIKey is WTTHVZZMUBCNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-2-7-15(8-3-1)9-4-14(17-15)12-13-5-10-16-11-6-13/h12,14,16H,1-11H2.
What are the key properties of 4-(1-oxaspiro[4.5]decan-2-ylmethylidene)piperidine?
4-(1-oxaspiro[4.5]decan-2-ylmethylidene)piperidine has a molecular weight of 235.37 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxaspiro[4.5]decan-2-ylmethylidene)piperidine is sourced from PubChem (CID 102902804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).