4-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol

C14H21NO3 — CID 117238923

IUPAC4-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol
SMILESCN1CCC(C(O)COc2ccc(O)cc2)CC1
InChIInChI=1S/C14H21NO3/c1-15-8-6-11(7-9-15)14(17)10-18-13-4-2-12(16)3-5-13/h2-5,11,14,16-17H,6-10H2,1H3
InChIKeyCBXKRULBITXFJB-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.47
Rot. Bonds4

About 4-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol

4-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol (PubChem CID 117238923) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol.

Molecular Properties

Compound Name4-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol
PubChem CID117238923
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol
SMILESCN1CCC(C(O)COc2ccc(O)cc2)CC1
InChIInChI=1S/C14H21NO3/c1-15-8-6-11(7-9-15)14(17)10-18-13-4-2-12(16)3-5-13/h2-5,11,14,16-17H,6-10H2,1H3
InChIKeyCBXKRULBITXFJB-UHFFFAOYSA-N
XLogP1.47
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-hydroxy-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol
CID 117237471
2-(4-bromophenoxy)-1-(1-methylpiperidin-4-yl)ethanol
CID 117238916
2-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol
CID 117238747
4-[2-(1-ethylpiperidin-4-yl)-3-hydroxypropoxy]phenol
CID 117239428
2-(2-fluorophenoxy)-1-(1-methylpiperidin-4-yl)ethanol
CID 117238738
1-cyclopropyl-2-(4-propylphenoxy)ethanol
CID 63908083
2-(4-methylphenoxy)-1-(1-methylpiperidin-4-yl)ethanamine
CID 117238902
2-(3-fluorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol
CID 117237378
2-(4-chlorophenoxy)-1-(1-ethylpyrrolidin-3-yl)ethanol
CID 117237487
1-(1-methylpiperidin-4-yl)-2-phenoxyethanamine
CID 117238723
4-[2-amino-2-(1-propan-2-ylpyrrolidin-3-yl)ethoxy]phenol
CID 117237493
2-(1-ethylpiperidin-4-yl)-3-(4-hydroxyphenoxy)propanoic acid
CID 117239836

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol?
The IUPAC name of 4-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol (CID 117238923) is 4-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol.
What is the SMILES notation for 4-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol?
The canonical SMILES for 4-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol is CN1CCC(C(O)COc2ccc(O)cc2)CC1.
What is the InChIKey of 4-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol?
The InChIKey is CBXKRULBITXFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-15-8-6-11(7-9-15)14(17)10-18-13-4-2-12(16)3-5-13/h2-5,11,14,16-17H,6-10H2,1H3.
What are the key properties of 4-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol?
4-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol has a molecular weight of 251.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol is sourced from PubChem (CID 117238923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).