1-[(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)methyl]piperidine

C15H25NO — CID 2828544

IUPAC1-[(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)methyl]piperidine
SMILESCC1=CCC2COC(CN3CCCCC3)C1C2
InChIInChI=1S/C15H25NO/c1-12-5-6-13-9-14(12)15(17-11-13)10-16-7-3-2-4-8-16/h5,13-15H,2-4,6-11H2,1H3
InChIKeyJFVBLVUPDVJWIA-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.84
Rot. Bonds2

About 1-[(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)methyl]piperidine

1-[(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)methyl]piperidine (PubChem CID 2828544) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)methyl]piperidine
PubChem CID2828544
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)methyl]piperidine
SMILESCC1=CCC2COC(CN3CCCCC3)C1C2
InChIInChI=1S/C15H25NO/c1-12-5-6-13-9-14(12)15(17-11-13)10-16-7-3-2-4-8-16/h5,13-15H,2-4,6-11H2,1H3
InChIKeyJFVBLVUPDVJWIA-UHFFFAOYSA-N
XLogP2.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.84
H-Bond Donors ≤ 50
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 1-[(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)methyl]piperidine?
The IUPAC name of 1-[(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)methyl]piperidine (CID 2828544) is 1-[(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)methyl]piperidine.
What is the SMILES notation for 1-[(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)methyl]piperidine?
The canonical SMILES for 1-[(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)methyl]piperidine is CC1=CCC2COC(CN3CCCCC3)C1C2.
What is the InChIKey of 1-[(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)methyl]piperidine?
The InChIKey is JFVBLVUPDVJWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12-5-6-13-9-14(12)15(17-11-13)10-16-7-3-2-4-8-16/h5,13-15H,2-4,6-11H2,1H3.
What are the key properties of 1-[(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)methyl]piperidine?
1-[(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)methyl]piperidine has a molecular weight of 235.37 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)methyl]piperidine is sourced from PubChem (CID 2828544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).