4-(oxepan-4-ylidene)piperidine

C11H19NO — CID 176764053

IUPAC4-(oxepan-4-ylidene)piperidine
SMILESC1COCCC(=C2CCNCC2)C1
InChIInChI=1S/C11H19NO/c1-2-10(5-9-13-8-1)11-3-6-12-7-4-11/h12H,1-9H2
InChIKeyUONWLJVODIYKHE-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.87
Rot. Bonds

About 4-(oxepan-4-ylidene)piperidine

4-(oxepan-4-ylidene)piperidine (PubChem CID 176764053) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-(oxepan-4-ylidene)piperidine.

Molecular Properties

Compound Name4-(oxepan-4-ylidene)piperidine
PubChem CID176764053
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-(oxepan-4-ylidene)piperidine
SMILESC1COCCC(=C2CCNCC2)C1
InChIInChI=1S/C11H19NO/c1-2-10(5-9-13-8-1)11-3-6-12-7-4-11/h12H,1-9H2
InChIKeyUONWLJVODIYKHE-UHFFFAOYSA-N
XLogP1.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.87
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

4-[2-(Oxolan-2-yl)ethylidene]piperidine
CID 79879133
3-(Tetrahydro-4H-pyran-4-ylidene)piperidine
CID 79880186
4-(Oxan-4-ylidene)piperidine
CID 79880503
4-(Oxan-4-ylidene)azepane
CID 103983709
3-(4-Methoxybutan-2-ylidene)piperidine
CID 104881761
4-(4-Methoxybutan-2-ylidene)azepane
CID 104881765
4-(Oxan-3-ylidene)azepane
CID 107138035
4-(4-Methoxybutan-2-ylidene)piperidine
CID 116500409
(4E)-4-(4-methoxybutan-2-ylidene)azepane
CID 133638364
(3Z)-3-(4-methoxybutan-2-ylidene)piperidine
CID 133664274

Frequently Asked Questions

What is the IUPAC name of 4-(oxepan-4-ylidene)piperidine?
The IUPAC name of 4-(oxepan-4-ylidene)piperidine (CID 176764053) is 4-(oxepan-4-ylidene)piperidine.
What is the SMILES notation for 4-(oxepan-4-ylidene)piperidine?
The canonical SMILES for 4-(oxepan-4-ylidene)piperidine is C1COCCC(=C2CCNCC2)C1.
What is the InChIKey of 4-(oxepan-4-ylidene)piperidine?
The InChIKey is UONWLJVODIYKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-10(5-9-13-8-1)11-3-6-12-7-4-11/h12H,1-9H2.
What are the key properties of 4-(oxepan-4-ylidene)piperidine?
4-(oxepan-4-ylidene)piperidine has a molecular weight of 181.28 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxepan-4-ylidene)piperidine is sourced from PubChem (CID 176764053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).