2-ethoxy-6-(piperidin-1-ylmethyl)phenol

C14H21NO2 — CID 782717

IUPAC2-ethoxy-6-(piperidin-1-ylmethyl)phenol
SMILESCCOc1cccc(CN2CCCCC2)c1O
InChIInChI=1S/C14H21NO2/c1-2-17-13-8-6-7-12(14(13)16)11-15-9-4-3-5-10-15/h6-8,16H,2-5,9-11H2,1H3
InChIKeyMZQSFDCOOPAHRB-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.78
Rot. Bonds4

About 2-ethoxy-6-(piperidin-1-ylmethyl)phenol

2-ethoxy-6-(piperidin-1-ylmethyl)phenol (PubChem CID 782717) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-ethoxy-6-(piperidin-1-ylmethyl)phenol.

Molecular Properties

Compound Name2-ethoxy-6-(piperidin-1-ylmethyl)phenol
PubChem CID782717
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-ethoxy-6-(piperidin-1-ylmethyl)phenol
SMILESCCOc1cccc(CN2CCCCC2)c1O
InChIInChI=1S/C14H21NO2/c1-2-17-13-8-6-7-12(14(13)16)11-15-9-4-3-5-10-15/h6-8,16H,2-5,9-11H2,1H3
InChIKeyMZQSFDCOOPAHRB-UHFFFAOYSA-N
XLogP2.78
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-(piperidin-1-ylmethyl)phenol?
The IUPAC name of 2-ethoxy-6-(piperidin-1-ylmethyl)phenol (CID 782717) is 2-ethoxy-6-(piperidin-1-ylmethyl)phenol.
What is the SMILES notation for 2-ethoxy-6-(piperidin-1-ylmethyl)phenol?
The canonical SMILES for 2-ethoxy-6-(piperidin-1-ylmethyl)phenol is CCOc1cccc(CN2CCCCC2)c1O.
What is the InChIKey of 2-ethoxy-6-(piperidin-1-ylmethyl)phenol?
The InChIKey is MZQSFDCOOPAHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-17-13-8-6-7-12(14(13)16)11-15-9-4-3-5-10-15/h6-8,16H,2-5,9-11H2,1H3.
What are the key properties of 2-ethoxy-6-(piperidin-1-ylmethyl)phenol?
2-ethoxy-6-(piperidin-1-ylmethyl)phenol has a molecular weight of 235.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-(piperidin-1-ylmethyl)phenol is sourced from PubChem (CID 782717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).