2-[4-(1-methylpiperidin-4-yl)phenoxy]ethanamine

C14H22N2O — CID 115040366

IUPAC2-[4-(1-methylpiperidin-4-yl)phenoxy]ethanamine
SMILESCN1CCC(c2ccc(OCCN)cc2)CC1
InChIInChI=1S/C14H22N2O/c1-16-9-6-13(7-10-16)12-2-4-14(5-3-12)17-11-8-15/h2-5,13H,6-11,15H2,1H3
InChIKeyARMFVDMZPSOLEZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.83
Rot. Bonds4

About 2-[4-(1-methylpiperidin-4-yl)phenoxy]ethanamine

2-[4-(1-methylpiperidin-4-yl)phenoxy]ethanamine (PubChem CID 115040366) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[4-(1-methylpiperidin-4-yl)phenoxy]ethanamine.

Molecular Properties

Compound Name2-[4-(1-methylpiperidin-4-yl)phenoxy]ethanamine
PubChem CID115040366
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[4-(1-methylpiperidin-4-yl)phenoxy]ethanamine
SMILESCN1CCC(c2ccc(OCCN)cc2)CC1
InChIInChI=1S/C14H22N2O/c1-16-9-6-13(7-10-16)12-2-4-14(5-3-12)17-11-8-15/h2-5,13H,6-11,15H2,1H3
InChIKeyARMFVDMZPSOLEZ-UHFFFAOYSA-N
XLogP1.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylpiperidin-4-yl)phenoxy]ethanamine?
The IUPAC name of 2-[4-(1-methylpiperidin-4-yl)phenoxy]ethanamine (CID 115040366) is 2-[4-(1-methylpiperidin-4-yl)phenoxy]ethanamine.
What is the SMILES notation for 2-[4-(1-methylpiperidin-4-yl)phenoxy]ethanamine?
The canonical SMILES for 2-[4-(1-methylpiperidin-4-yl)phenoxy]ethanamine is CN1CCC(c2ccc(OCCN)cc2)CC1.
What is the InChIKey of 2-[4-(1-methylpiperidin-4-yl)phenoxy]ethanamine?
The InChIKey is ARMFVDMZPSOLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16-9-6-13(7-10-16)12-2-4-14(5-3-12)17-11-8-15/h2-5,13H,6-11,15H2,1H3.
What are the key properties of 2-[4-(1-methylpiperidin-4-yl)phenoxy]ethanamine?
2-[4-(1-methylpiperidin-4-yl)phenoxy]ethanamine has a molecular weight of 234.34 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylpiperidin-4-yl)phenoxy]ethanamine is sourced from PubChem (CID 115040366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).