3-fluoro-1-(2-methoxyethyl)piperidin-4-amine

C8H17FN2O — CID 119054836

IUPAC3-fluoro-1-(2-methoxyethyl)piperidin-4-amine
SMILESCOCCN1CCC(N)C(F)C1
InChIInChI=1S/C8H17FN2O/c1-12-5-4-11-3-2-8(10)7(9)6-11/h7-8H,2-6,10H2,1H3
InChIKeyWRGAGXKXGAGBPZ-UHFFFAOYSA-N
MW176.23 g/mol
LogP0.00
Rot. Bonds3

About 3-fluoro-1-(2-methoxyethyl)piperidin-4-amine

3-fluoro-1-(2-methoxyethyl)piperidin-4-amine (PubChem CID 119054836) has the molecular formula C8H17FN2O and a molecular weight of 176.23 g/mol. Its IUPAC name is 3-fluoro-1-(2-methoxyethyl)piperidin-4-amine.

Molecular Properties

Compound Name3-fluoro-1-(2-methoxyethyl)piperidin-4-amine
PubChem CID119054836
Molecular FormulaC8H17FN2O
Molecular Weight176.23 g/mol
Exact Mass176.13
IUPAC Name3-fluoro-1-(2-methoxyethyl)piperidin-4-amine
SMILESCOCCN1CCC(N)C(F)C1
InChIInChI=1S/C8H17FN2O/c1-12-5-4-11-3-2-8(10)7(9)6-11/h7-8H,2-6,10H2,1H3
InChIKeyWRGAGXKXGAGBPZ-UHFFFAOYSA-N
XLogP0.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(2-methoxyethyl)piperidin-4-amine?
The IUPAC name of 3-fluoro-1-(2-methoxyethyl)piperidin-4-amine (CID 119054836) is 3-fluoro-1-(2-methoxyethyl)piperidin-4-amine.
What is the SMILES notation for 3-fluoro-1-(2-methoxyethyl)piperidin-4-amine?
The canonical SMILES for 3-fluoro-1-(2-methoxyethyl)piperidin-4-amine is COCCN1CCC(N)C(F)C1.
What is the InChIKey of 3-fluoro-1-(2-methoxyethyl)piperidin-4-amine?
The InChIKey is WRGAGXKXGAGBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2O/c1-12-5-4-11-3-2-8(10)7(9)6-11/h7-8H,2-6,10H2,1H3.
What are the key properties of 3-fluoro-1-(2-methoxyethyl)piperidin-4-amine?
3-fluoro-1-(2-methoxyethyl)piperidin-4-amine has a molecular weight of 176.23 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(2-methoxyethyl)piperidin-4-amine is sourced from PubChem (CID 119054836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).