2-[2-(4-fluoropiperidin-1-yl)ethoxy]ethanamine

C9H19FN2O — CID 154943697

IUPAC2-[2-(4-fluoropiperidin-1-yl)ethoxy]ethanamine
SMILESNCCOCCN1CCC(F)CC1
InChIInChI=1S/C9H19FN2O/c10-9-1-4-12(5-2-9)6-8-13-7-3-11/h9H,1-8,11H2
InChIKeyPYUXPJXNLAIQKM-UHFFFAOYSA-N
MW190.26 g/mol
LogP0.40
Rot. Bonds5

About 2-[2-(4-fluoropiperidin-1-yl)ethoxy]ethanamine

2-[2-(4-fluoropiperidin-1-yl)ethoxy]ethanamine (PubChem CID 154943697) has the molecular formula C9H19FN2O and a molecular weight of 190.26 g/mol. Its IUPAC name is 2-[2-(4-fluoropiperidin-1-yl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(4-fluoropiperidin-1-yl)ethoxy]ethanamine
PubChem CID154943697
Molecular FormulaC9H19FN2O
Molecular Weight190.26 g/mol
Exact Mass190.15
IUPAC Name2-[2-(4-fluoropiperidin-1-yl)ethoxy]ethanamine
SMILESNCCOCCN1CCC(F)CC1
InChIInChI=1S/C9H19FN2O/c10-9-1-4-12(5-2-9)6-8-13-7-3-11/h9H,1-8,11H2
InChIKeyPYUXPJXNLAIQKM-UHFFFAOYSA-N
XLogP0.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoropiperidin-1-yl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(4-fluoropiperidin-1-yl)ethoxy]ethanamine (CID 154943697) is 2-[2-(4-fluoropiperidin-1-yl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(4-fluoropiperidin-1-yl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(4-fluoropiperidin-1-yl)ethoxy]ethanamine is NCCOCCN1CCC(F)CC1.
What is the InChIKey of 2-[2-(4-fluoropiperidin-1-yl)ethoxy]ethanamine?
The InChIKey is PYUXPJXNLAIQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2O/c10-9-1-4-12(5-2-9)6-8-13-7-3-11/h9H,1-8,11H2.
What are the key properties of 2-[2-(4-fluoropiperidin-1-yl)ethoxy]ethanamine?
2-[2-(4-fluoropiperidin-1-yl)ethoxy]ethanamine has a molecular weight of 190.26 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoropiperidin-1-yl)ethoxy]ethanamine is sourced from PubChem (CID 154943697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).