2-[1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-5-fluorophenol

C16H24FNO — CID 82979712

IUPAC2-[1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-5-fluorophenol
SMILESCCC1(C)CCN(C(C)c2ccc(F)cc2O)CC1
InChIInChI=1S/C16H24FNO/c1-4-16(3)7-9-18(10-8-16)12(2)14-6-5-13(17)11-15(14)19/h5-6,11-12,19H,4,7-10H2,1-3H3
InChIKeyCICLQHUINLINPT-UHFFFAOYSA-N
MW265.37 g/mol
LogP4.10
Rot. Bonds3

About 2-[1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-5-fluorophenol

2-[1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-5-fluorophenol (PubChem CID 82979712) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-[1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-5-fluorophenol.

Molecular Properties

Compound Name2-[1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-5-fluorophenol
PubChem CID82979712
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name2-[1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-5-fluorophenol
SMILESCCC1(C)CCN(C(C)c2ccc(F)cc2O)CC1
InChIInChI=1S/C16H24FNO/c1-4-16(3)7-9-18(10-8-16)12(2)14-6-5-13(17)11-15(14)19/h5-6,11-12,19H,4,7-10H2,1-3H3
InChIKeyCICLQHUINLINPT-UHFFFAOYSA-N
XLogP4.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(1-pyrrolidin-1-ylethyl)phenol
CID 82974867
2-[1-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-5-fluorophenol
CID 82976686
2-[1-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-5-fluorophenol
CID 82980035
5-fluoro-2-[1-(4-methyl-1,4-diazepan-1-yl)ethyl]phenol
CID 82974158
2-[1-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-5-fluorophenol
CID 103542218
2-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-5-fluorophenol
CID 104961921
2-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine
CID 63156191
1-[1-(4-fluoro-2-hydroxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid
CID 65071230
1-[1-(4-fluoro-2-hydroxyphenyl)ethyl]azetidine-3-carboxylic acid
CID 65072301
2-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
CID 82982908
5-fluoro-2-[1-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenol
CID 82982794
2-(4-ethyl-4-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63156587

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-5-fluorophenol?
The IUPAC name of 2-[1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-5-fluorophenol (CID 82979712) is 2-[1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-5-fluorophenol.
What is the SMILES notation for 2-[1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-5-fluorophenol?
The canonical SMILES for 2-[1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-5-fluorophenol is CCC1(C)CCN(C(C)c2ccc(F)cc2O)CC1.
What is the InChIKey of 2-[1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-5-fluorophenol?
The InChIKey is CICLQHUINLINPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-4-16(3)7-9-18(10-8-16)12(2)14-6-5-13(17)11-15(14)19/h5-6,11-12,19H,4,7-10H2,1-3H3.
What are the key properties of 2-[1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-5-fluorophenol?
2-[1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-5-fluorophenol has a molecular weight of 265.37 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-5-fluorophenol is sourced from PubChem (CID 82979712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).