2-(5-methoxy-2-piperidin-1-ylphenyl)ethanol

C14H21NO2 — CID 117343468

IUPAC2-(5-methoxy-2-piperidin-1-ylphenyl)ethanol
SMILESCOc1ccc(N2CCCCC2)c(CCO)c1
InChIInChI=1S/C14H21NO2/c1-17-13-5-6-14(12(11-13)7-10-16)15-8-3-2-4-9-15/h5-6,11,16H,2-4,7-10H2,1H3
InChIKeyFDWXXJIMPJGNIG-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.22
Rot. Bonds4

About 2-(5-methoxy-2-piperidin-1-ylphenyl)ethanol

2-(5-methoxy-2-piperidin-1-ylphenyl)ethanol (PubChem CID 117343468) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(5-methoxy-2-piperidin-1-ylphenyl)ethanol.

Molecular Properties

Compound Name2-(5-methoxy-2-piperidin-1-ylphenyl)ethanol
PubChem CID117343468
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(5-methoxy-2-piperidin-1-ylphenyl)ethanol
SMILESCOc1ccc(N2CCCCC2)c(CCO)c1
InChIInChI=1S/C14H21NO2/c1-17-13-5-6-14(12(11-13)7-10-16)15-8-3-2-4-9-15/h5-6,11,16H,2-4,7-10H2,1H3
InChIKeyFDWXXJIMPJGNIG-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-piperidin-1-ylphenyl)ethanol?
The IUPAC name of 2-(5-methoxy-2-piperidin-1-ylphenyl)ethanol (CID 117343468) is 2-(5-methoxy-2-piperidin-1-ylphenyl)ethanol.
What is the SMILES notation for 2-(5-methoxy-2-piperidin-1-ylphenyl)ethanol?
The canonical SMILES for 2-(5-methoxy-2-piperidin-1-ylphenyl)ethanol is COc1ccc(N2CCCCC2)c(CCO)c1.
What is the InChIKey of 2-(5-methoxy-2-piperidin-1-ylphenyl)ethanol?
The InChIKey is FDWXXJIMPJGNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-17-13-5-6-14(12(11-13)7-10-16)15-8-3-2-4-9-15/h5-6,11,16H,2-4,7-10H2,1H3.
What are the key properties of 2-(5-methoxy-2-piperidin-1-ylphenyl)ethanol?
2-(5-methoxy-2-piperidin-1-ylphenyl)ethanol has a molecular weight of 235.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-piperidin-1-ylphenyl)ethanol is sourced from PubChem (CID 117343468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).