4-[3-(methoxymethylidene)cyclobutyl]piperidine

C11H19NO — CID 165404378

IUPAC4-[3-(methoxymethylidene)cyclobutyl]piperidine
SMILESCOC=C1CC(C2CCNCC2)C1
InChIInChI=1S/C11H19NO/c1-13-8-9-6-11(7-9)10-2-4-12-5-3-10/h8,10-12H,2-7H2,1H3/b9-8-
InChIKeySKLVTNVZGPPLSM-HJWRWDBZSA-N
MW181.28 g/mol
LogP1.93
Rot. Bonds2

About 4-[3-(methoxymethylidene)cyclobutyl]piperidine

4-[3-(methoxymethylidene)cyclobutyl]piperidine (PubChem CID 165404378) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-[3-(methoxymethylidene)cyclobutyl]piperidine.

Molecular Properties

Compound Name4-[3-(methoxymethylidene)cyclobutyl]piperidine
PubChem CID165404378
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-[3-(methoxymethylidene)cyclobutyl]piperidine
SMILESCOC=C1CC(C2CCNCC2)C1
InChIInChI=1S/C11H19NO/c1-13-8-9-6-11(7-9)10-2-4-12-5-3-10/h8,10-12H,2-7H2,1H3/b9-8-
InChIKeySKLVTNVZGPPLSM-HJWRWDBZSA-N
XLogP1.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethylidene)cyclobutyl]piperidine?
The IUPAC name of 4-[3-(methoxymethylidene)cyclobutyl]piperidine (CID 165404378) is 4-[3-(methoxymethylidene)cyclobutyl]piperidine.
What is the SMILES notation for 4-[3-(methoxymethylidene)cyclobutyl]piperidine?
The canonical SMILES for 4-[3-(methoxymethylidene)cyclobutyl]piperidine is COC=C1CC(C2CCNCC2)C1.
What is the InChIKey of 4-[3-(methoxymethylidene)cyclobutyl]piperidine?
The InChIKey is SKLVTNVZGPPLSM-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H19NO/c1-13-8-9-6-11(7-9)10-2-4-12-5-3-10/h8,10-12H,2-7H2,1H3/b9-8-.
What are the key properties of 4-[3-(methoxymethylidene)cyclobutyl]piperidine?
4-[3-(methoxymethylidene)cyclobutyl]piperidine has a molecular weight of 181.28 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethylidene)cyclobutyl]piperidine is sourced from PubChem (CID 165404378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).