4-(4-methoxybutan-2-ylidene)piperidine

C10H19NO — CID 116500409

IUPAC4-(4-methoxybutan-2-ylidene)piperidine
SMILESCOCCC(C)=C1CCNCC1
InChIInChI=1S/C10H19NO/c1-9(5-8-12-2)10-3-6-11-7-4-10/h11H,3-8H2,1-2H3
InChIKeyFADXULCNMMHMIN-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds3

About 4-(4-methoxybutan-2-ylidene)piperidine

4-(4-methoxybutan-2-ylidene)piperidine (PubChem CID 116500409) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-(4-methoxybutan-2-ylidene)piperidine.

Molecular Properties

Compound Name4-(4-methoxybutan-2-ylidene)piperidine
PubChem CID116500409
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-(4-methoxybutan-2-ylidene)piperidine
SMILESCOCCC(C)=C1CCNCC1
InChIInChI=1S/C10H19NO/c1-9(5-8-12-2)10-3-6-11-7-4-10/h11H,3-8H2,1-2H3
InChIKeyFADXULCNMMHMIN-UHFFFAOYSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.72
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-(4-methoxybutan-2-ylidene)piperidine?
The IUPAC name of 4-(4-methoxybutan-2-ylidene)piperidine (CID 116500409) is 4-(4-methoxybutan-2-ylidene)piperidine.
What is the SMILES notation for 4-(4-methoxybutan-2-ylidene)piperidine?
The canonical SMILES for 4-(4-methoxybutan-2-ylidene)piperidine is COCCC(C)=C1CCNCC1.
What is the InChIKey of 4-(4-methoxybutan-2-ylidene)piperidine?
The InChIKey is FADXULCNMMHMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(5-8-12-2)10-3-6-11-7-4-10/h11H,3-8H2,1-2H3.
What are the key properties of 4-(4-methoxybutan-2-ylidene)piperidine?
4-(4-methoxybutan-2-ylidene)piperidine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxybutan-2-ylidene)piperidine is sourced from PubChem (CID 116500409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).