1-[2-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)oxy]ethyl]piperidine

C15H23NO — CID 143265862

IUPAC1-[2-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)oxy]ethyl]piperidine
SMILESCC12C=CC(OCCN3CCCCC3)=CC1C2
InChIInChI=1S/C15H23NO/c1-15-6-5-14(11-13(15)12-15)17-10-9-16-7-3-2-4-8-16/h5-6,11,13H,2-4,7-10,12H2,1H3
InChIKeyXMTHGIAWGZQOEQ-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.97
Rot. Bonds4

About 1-[2-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)oxy]ethyl]piperidine

1-[2-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)oxy]ethyl]piperidine (PubChem CID 143265862) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[2-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)oxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)oxy]ethyl]piperidine
PubChem CID143265862
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-[2-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)oxy]ethyl]piperidine
SMILESCC12C=CC(OCCN3CCCCC3)=CC1C2
InChIInChI=1S/C15H23NO/c1-15-6-5-14(11-13(15)12-15)17-10-9-16-7-3-2-4-8-16/h5-6,11,13H,2-4,7-10,12H2,1H3
InChIKeyXMTHGIAWGZQOEQ-UHFFFAOYSA-N
XLogP2.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)oxy]ethyl]piperidine?
The IUPAC name of 1-[2-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)oxy]ethyl]piperidine (CID 143265862) is 1-[2-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)oxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)oxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)oxy]ethyl]piperidine is CC12C=CC(OCCN3CCCCC3)=CC1C2.
What is the InChIKey of 1-[2-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)oxy]ethyl]piperidine?
The InChIKey is XMTHGIAWGZQOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-15-6-5-14(11-13(15)12-15)17-10-9-16-7-3-2-4-8-16/h5-6,11,13H,2-4,7-10,12H2,1H3.
What are the key properties of 1-[2-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)oxy]ethyl]piperidine?
1-[2-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)oxy]ethyl]piperidine has a molecular weight of 233.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)oxy]ethyl]piperidine is sourced from PubChem (CID 143265862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).