1-[2-(2,4,6-trimethylphenoxy)ethyl]piperidine

C16H25NO — CID 867306

IUPAC1-[2-(2,4,6-trimethylphenoxy)ethyl]piperidine
SMILESCc1cc(C)c(OCCN2CCCCC2)c(C)c1
InChIInChI=1S/C16H25NO/c1-13-11-14(2)16(15(3)12-13)18-10-9-17-7-5-4-6-8-17/h11-12H,4-10H2,1-3H3
InChIKeyIQMPWQAAVGTJMA-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.48
Rot. Bonds4

About 1-[2-(2,4,6-trimethylphenoxy)ethyl]piperidine

1-[2-(2,4,6-trimethylphenoxy)ethyl]piperidine (PubChem CID 867306) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[2-(2,4,6-trimethylphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(2,4,6-trimethylphenoxy)ethyl]piperidine
PubChem CID867306
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[2-(2,4,6-trimethylphenoxy)ethyl]piperidine
SMILESCc1cc(C)c(OCCN2CCCCC2)c(C)c1
InChIInChI=1S/C16H25NO/c1-13-11-14(2)16(15(3)12-13)18-10-9-17-7-5-4-6-8-17/h11-12H,4-10H2,1-3H3
InChIKeyIQMPWQAAVGTJMA-UHFFFAOYSA-N
XLogP3.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4,6-trimethylphenoxy)ethyl]piperidine?
The IUPAC name of 1-[2-(2,4,6-trimethylphenoxy)ethyl]piperidine (CID 867306) is 1-[2-(2,4,6-trimethylphenoxy)ethyl]piperidine.
What is the SMILES notation for 1-[2-(2,4,6-trimethylphenoxy)ethyl]piperidine?
The canonical SMILES for 1-[2-(2,4,6-trimethylphenoxy)ethyl]piperidine is Cc1cc(C)c(OCCN2CCCCC2)c(C)c1.
What is the InChIKey of 1-[2-(2,4,6-trimethylphenoxy)ethyl]piperidine?
The InChIKey is IQMPWQAAVGTJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-11-14(2)16(15(3)12-13)18-10-9-17-7-5-4-6-8-17/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-[2-(2,4,6-trimethylphenoxy)ethyl]piperidine?
1-[2-(2,4,6-trimethylphenoxy)ethyl]piperidine has a molecular weight of 247.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4,6-trimethylphenoxy)ethyl]piperidine is sourced from PubChem (CID 867306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).