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

C14H21NO3 — CID 117238747

IUPAC2-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol
SMILESCN1CCC(C(O)COc2ccccc2O)CC1
InChIInChI=1S/C14H21NO3/c1-15-8-6-11(7-9-15)13(17)10-18-14-5-3-2-4-12(14)16/h2-5,11,13,16-17H,6-10H2,1H3
InChIKeyAPBKTIZZBZFRHT-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.47
Rot. Bonds4

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

2-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol (PubChem CID 117238747) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol.

Molecular Properties

Compound Name2-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol
PubChem CID117238747
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol
SMILESCN1CCC(C(O)COc2ccccc2O)CC1
InChIInChI=1S/C14H21NO3/c1-15-8-6-11(7-9-15)13(17)10-18-14-5-3-2-4-12(14)16/h2-5,11,13,16-17H,6-10H2,1H3
InChIKeyAPBKTIZZBZFRHT-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

2-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethoxy]phenol
CID 117238771
2-(2-fluorophenoxy)-1-(1-methylpiperidin-4-yl)ethanol
CID 117238738
2-[3-hydroxy-2-(1-methylpyrrolidin-3-yl)propoxy]phenol
CID 117237799
2-[2-amino-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol
CID 117237295
2-(2-methylphenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol
CID 117237280
4-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol
CID 117238923
1-(1-ethylpiperidin-4-yl)-2-(2-methoxyphenoxy)ethanol
CID 117238772
2-(4-bromophenoxy)-1-(1-methylpiperidin-4-yl)ethanol
CID 117238916
1-cyclopentyl-2-(2-propoxyphenoxy)ethanol
CID 104753565
1-cyclopentyl-2-(2-methoxyphenoxy)ethanol
CID 113449278
2-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-1-ol
CID 117239219
4-[2-hydroxy-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol
CID 117237471

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol?
The IUPAC name of 2-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol (CID 117238747) is 2-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol.
What is the SMILES notation for 2-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol?
The canonical SMILES for 2-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol is CN1CCC(C(O)COc2ccccc2O)CC1.
What is the InChIKey of 2-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol?
The InChIKey is APBKTIZZBZFRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-15-8-6-11(7-9-15)13(17)10-18-14-5-3-2-4-12(14)16/h2-5,11,13,16-17H,6-10H2,1H3.
What are the key properties of 2-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol?
2-[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 2-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol is sourced from PubChem (CID 117238747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).