4-ethyl-1-[2-(3-methoxycyclobutyl)ethenyl]piperidine

C14H25NO — CID 158092677

IUPAC4-ethyl-1-[2-(3-methoxycyclobutyl)ethenyl]piperidine
SMILESCCC1CCN(C=CC2CC(OC)C2)CC1
InChIInChI=1S/C14H25NO/c1-3-12-4-7-15(8-5-12)9-6-13-10-14(11-13)16-2/h6,9,12-14H,3-5,7-8,10-11H2,1-2H3
InChIKeyTYEOQKXLWXSYDR-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.05
Rot. Bonds4

About 4-ethyl-1-[2-(3-methoxycyclobutyl)ethenyl]piperidine

4-ethyl-1-[2-(3-methoxycyclobutyl)ethenyl]piperidine (PubChem CID 158092677) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-ethyl-1-[2-(3-methoxycyclobutyl)ethenyl]piperidine.

Molecular Properties

Compound Name4-ethyl-1-[2-(3-methoxycyclobutyl)ethenyl]piperidine
PubChem CID158092677
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name4-ethyl-1-[2-(3-methoxycyclobutyl)ethenyl]piperidine
SMILESCCC1CCN(C=CC2CC(OC)C2)CC1
InChIInChI=1S/C14H25NO/c1-3-12-4-7-15(8-5-12)9-6-13-10-14(11-13)16-2/h6,9,12-14H,3-5,7-8,10-11H2,1-2H3
InChIKeyTYEOQKXLWXSYDR-UHFFFAOYSA-N
XLogP3.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[2-(3-methoxycyclobutyl)ethenyl]piperidine?
The IUPAC name of 4-ethyl-1-[2-(3-methoxycyclobutyl)ethenyl]piperidine (CID 158092677) is 4-ethyl-1-[2-(3-methoxycyclobutyl)ethenyl]piperidine.
What is the SMILES notation for 4-ethyl-1-[2-(3-methoxycyclobutyl)ethenyl]piperidine?
The canonical SMILES for 4-ethyl-1-[2-(3-methoxycyclobutyl)ethenyl]piperidine is CCC1CCN(C=CC2CC(OC)C2)CC1.
What is the InChIKey of 4-ethyl-1-[2-(3-methoxycyclobutyl)ethenyl]piperidine?
The InChIKey is TYEOQKXLWXSYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-12-4-7-15(8-5-12)9-6-13-10-14(11-13)16-2/h6,9,12-14H,3-5,7-8,10-11H2,1-2H3.
What are the key properties of 4-ethyl-1-[2-(3-methoxycyclobutyl)ethenyl]piperidine?
4-ethyl-1-[2-(3-methoxycyclobutyl)ethenyl]piperidine has a molecular weight of 223.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[2-(3-methoxycyclobutyl)ethenyl]piperidine is sourced from PubChem (CID 158092677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).