N-ethyl-N-[2-(2-fluorophenoxy)ethyl]piperidin-3-amine

C15H23FN2O — CID 55245884

IUPACN-ethyl-N-[2-(2-fluorophenoxy)ethyl]piperidin-3-amine
SMILESCCN(CCOc1ccccc1F)C1CCCNC1
InChIInChI=1S/C15H23FN2O/c1-2-18(13-6-5-9-17-12-13)10-11-19-15-8-4-3-7-14(15)16/h3-4,7-8,13,17H,2,5-6,9-12H2,1H3
InChIKeyRINIKABPZJXBIL-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.28
Rot. Bonds6

About N-ethyl-N-[2-(2-fluorophenoxy)ethyl]piperidin-3-amine

N-ethyl-N-[2-(2-fluorophenoxy)ethyl]piperidin-3-amine (PubChem CID 55245884) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-ethyl-N-[2-(2-fluorophenoxy)ethyl]piperidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[2-(2-fluorophenoxy)ethyl]piperidin-3-amine
PubChem CID55245884
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-ethyl-N-[2-(2-fluorophenoxy)ethyl]piperidin-3-amine
SMILESCCN(CCOc1ccccc1F)C1CCCNC1
InChIInChI=1S/C15H23FN2O/c1-2-18(13-6-5-9-17-12-13)10-11-19-15-8-4-3-7-14(15)16/h3-4,7-8,13,17H,2,5-6,9-12H2,1H3
InChIKeyRINIKABPZJXBIL-UHFFFAOYSA-N
XLogP2.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(2-fluorophenoxy)ethyl]piperidin-3-amine?
The IUPAC name of N-ethyl-N-[2-(2-fluorophenoxy)ethyl]piperidin-3-amine (CID 55245884) is N-ethyl-N-[2-(2-fluorophenoxy)ethyl]piperidin-3-amine.
What is the SMILES notation for N-ethyl-N-[2-(2-fluorophenoxy)ethyl]piperidin-3-amine?
The canonical SMILES for N-ethyl-N-[2-(2-fluorophenoxy)ethyl]piperidin-3-amine is CCN(CCOc1ccccc1F)C1CCCNC1.
What is the InChIKey of N-ethyl-N-[2-(2-fluorophenoxy)ethyl]piperidin-3-amine?
The InChIKey is RINIKABPZJXBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-2-18(13-6-5-9-17-12-13)10-11-19-15-8-4-3-7-14(15)16/h3-4,7-8,13,17H,2,5-6,9-12H2,1H3.
What are the key properties of N-ethyl-N-[2-(2-fluorophenoxy)ethyl]piperidin-3-amine?
N-ethyl-N-[2-(2-fluorophenoxy)ethyl]piperidin-3-amine has a molecular weight of 266.36 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(2-fluorophenoxy)ethyl]piperidin-3-amine is sourced from PubChem (CID 55245884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).