3-(oxan-3-ylidene)piperidine

C10H17NO — CID 107138028

IUPAC3-(oxan-3-ylidene)piperidine
SMILESC1CNCC(=C2CCCOC2)C1
InChIInChI=1S/C10H17NO/c1-3-9(7-11-5-1)10-4-2-6-12-8-10/h11H,1-8H2
InChIKeySCBRNDMUWBDPGA-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.48
Rot. Bonds

About 3-(oxan-3-ylidene)piperidine

3-(oxan-3-ylidene)piperidine (PubChem CID 107138028) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-(oxan-3-ylidene)piperidine.

Molecular Properties

Compound Name3-(oxan-3-ylidene)piperidine
PubChem CID107138028
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-(oxan-3-ylidene)piperidine
SMILESC1CNCC(=C2CCCOC2)C1
InChIInChI=1S/C10H17NO/c1-3-9(7-11-5-1)10-4-2-6-12-8-10/h11H,1-8H2
InChIKeySCBRNDMUWBDPGA-UHFFFAOYSA-N
XLogP1.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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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Related Compounds

3-(Tetrahydro-4H-pyran-4-ylidene)piperidine
CID 79880186
(3E)-3-(oxolan-2-ylmethylidene)piperidine
CID 79880294
4-(Oxan-4-ylidene)piperidine
CID 79880503
3-(Oxolan-3-ylidene)piperidine
CID 79880721
3-(1-Methoxypropan-2-ylidene)piperidine
CID 104863207
4-(Oxan-3-ylidene)piperidine
CID 107138027
3-(Oxan-3-ylidene)pyrrolidine
CID 107138031
4-(Oxan-3-ylidene)azepane
CID 107138035
2-[2-(Oxan-3-ylidene)propyl]piperidine
CID 107138036
3-[2-(Oxan-3-ylidene)propyl]morpholine
CID 107138037
(3E)-3-(2-ethoxyethylidene)piperidine
CID 115012070
4-(1-Methoxypropan-2-ylidene)piperidine
CID 116092373

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-3-ylidene)piperidine?
The IUPAC name of 3-(oxan-3-ylidene)piperidine (CID 107138028) is 3-(oxan-3-ylidene)piperidine.
What is the SMILES notation for 3-(oxan-3-ylidene)piperidine?
The canonical SMILES for 3-(oxan-3-ylidene)piperidine is C1CNCC(=C2CCCOC2)C1.
What is the InChIKey of 3-(oxan-3-ylidene)piperidine?
The InChIKey is SCBRNDMUWBDPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-9(7-11-5-1)10-4-2-6-12-8-10/h11H,1-8H2.
What are the key properties of 3-(oxan-3-ylidene)piperidine?
3-(oxan-3-ylidene)piperidine has a molecular weight of 167.25 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-3-ylidene)piperidine is sourced from PubChem (CID 107138028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).