1-[2-(5-methylcyclohepta-1,6-dien-1-yl)oxyethyl]piperidine

C15H25NO — CID 143265867

IUPAC1-[2-(5-methylcyclohepta-1,6-dien-1-yl)oxyethyl]piperidine
SMILESCC1C=CC(OCCN2CCCCC2)=CCC1
InChIInChI=1S/C15H25NO/c1-14-6-5-7-15(9-8-14)17-13-12-16-10-3-2-4-11-16/h7-9,14H,2-6,10-13H2,1H3
InChIKeyWNFKXIKPKHEIRH-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.36
Rot. Bonds4

About 1-[2-(5-methylcyclohepta-1,6-dien-1-yl)oxyethyl]piperidine

1-[2-(5-methylcyclohepta-1,6-dien-1-yl)oxyethyl]piperidine (PubChem CID 143265867) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[2-(5-methylcyclohepta-1,6-dien-1-yl)oxyethyl]piperidine.

Molecular Properties

Compound Name1-[2-(5-methylcyclohepta-1,6-dien-1-yl)oxyethyl]piperidine
PubChem CID143265867
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[2-(5-methylcyclohepta-1,6-dien-1-yl)oxyethyl]piperidine
SMILESCC1C=CC(OCCN2CCCCC2)=CCC1
InChIInChI=1S/C15H25NO/c1-14-6-5-7-15(9-8-14)17-13-12-16-10-3-2-4-11-16/h7-9,14H,2-6,10-13H2,1H3
InChIKeyWNFKXIKPKHEIRH-UHFFFAOYSA-N
XLogP3.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methylcyclohepta-1,6-dien-1-yl)oxyethyl]piperidine?
The IUPAC name of 1-[2-(5-methylcyclohepta-1,6-dien-1-yl)oxyethyl]piperidine (CID 143265867) is 1-[2-(5-methylcyclohepta-1,6-dien-1-yl)oxyethyl]piperidine.
What is the SMILES notation for 1-[2-(5-methylcyclohepta-1,6-dien-1-yl)oxyethyl]piperidine?
The canonical SMILES for 1-[2-(5-methylcyclohepta-1,6-dien-1-yl)oxyethyl]piperidine is CC1C=CC(OCCN2CCCCC2)=CCC1.
What is the InChIKey of 1-[2-(5-methylcyclohepta-1,6-dien-1-yl)oxyethyl]piperidine?
The InChIKey is WNFKXIKPKHEIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-14-6-5-7-15(9-8-14)17-13-12-16-10-3-2-4-11-16/h7-9,14H,2-6,10-13H2,1H3.
What are the key properties of 1-[2-(5-methylcyclohepta-1,6-dien-1-yl)oxyethyl]piperidine?
1-[2-(5-methylcyclohepta-1,6-dien-1-yl)oxyethyl]piperidine has a molecular weight of 235.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methylcyclohepta-1,6-dien-1-yl)oxyethyl]piperidine is sourced from PubChem (CID 143265867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).