1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-4-ol

C15H23NO2 — CID 39352195

IUPAC1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-4-ol
SMILESCc1cccc(OCCN2CCC(O)CC2)c1C
InChIInChI=1S/C15H23NO2/c1-12-4-3-5-15(13(12)2)18-11-10-16-8-6-14(17)7-9-16/h3-5,14,17H,6-11H2,1-2H3
InChIKeyRREOWNMJTNYPRZ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.14
Rot. Bonds4

About 1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-4-ol

1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-4-ol (PubChem CID 39352195) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-4-ol
PubChem CID39352195
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-4-ol
SMILESCc1cccc(OCCN2CCC(O)CC2)c1C
InChIInChI=1S/C15H23NO2/c1-12-4-3-5-15(13(12)2)18-11-10-16-8-6-14(17)7-9-16/h3-5,14,17H,6-11H2,1-2H3
InChIKeyRREOWNMJTNYPRZ-UHFFFAOYSA-N
XLogP2.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-4-ol (CID 39352195) is 1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-4-ol is Cc1cccc(OCCN2CCC(O)CC2)c1C.
What is the InChIKey of 1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-4-ol?
The InChIKey is RREOWNMJTNYPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-4-3-5-15(13(12)2)18-11-10-16-8-6-14(17)7-9-16/h3-5,14,17H,6-11H2,1-2H3.
What are the key properties of 1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-4-ol?
1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-4-ol has a molecular weight of 249.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-4-ol is sourced from PubChem (CID 39352195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).