2-(4-piperidin-4-ylphenoxy)ethanamine

C13H20N2O — CID 115032196

IUPAC2-(4-piperidin-4-ylphenoxy)ethanamine
SMILESNCCOc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C13H20N2O/c14-7-10-16-13-3-1-11(2-4-13)12-5-8-15-9-6-12/h1-4,12,15H,5-10,14H2
InChIKeyMDRRJOZHGYFKFZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.49
Rot. Bonds4

About 2-(4-piperidin-4-ylphenoxy)ethanamine

2-(4-piperidin-4-ylphenoxy)ethanamine (PubChem CID 115032196) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(4-piperidin-4-ylphenoxy)ethanamine.

Molecular Properties

Compound Name2-(4-piperidin-4-ylphenoxy)ethanamine
PubChem CID115032196
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(4-piperidin-4-ylphenoxy)ethanamine
SMILESNCCOc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C13H20N2O/c14-7-10-16-13-3-1-11(2-4-13)12-5-8-15-9-6-12/h1-4,12,15H,5-10,14H2
InChIKeyMDRRJOZHGYFKFZ-UHFFFAOYSA-N
XLogP1.49
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-4-ylphenoxy)ethanamine?
The IUPAC name of 2-(4-piperidin-4-ylphenoxy)ethanamine (CID 115032196) is 2-(4-piperidin-4-ylphenoxy)ethanamine.
What is the SMILES notation for 2-(4-piperidin-4-ylphenoxy)ethanamine?
The canonical SMILES for 2-(4-piperidin-4-ylphenoxy)ethanamine is NCCOc1ccc(C2CCNCC2)cc1.
What is the InChIKey of 2-(4-piperidin-4-ylphenoxy)ethanamine?
The InChIKey is MDRRJOZHGYFKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c14-7-10-16-13-3-1-11(2-4-13)12-5-8-15-9-6-12/h1-4,12,15H,5-10,14H2.
What are the key properties of 2-(4-piperidin-4-ylphenoxy)ethanamine?
2-(4-piperidin-4-ylphenoxy)ethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-4-ylphenoxy)ethanamine is sourced from PubChem (CID 115032196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).