[4-ethoxy-1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]methanamine

C11H21F3N2O2 — CID 114284172

IUPAC[4-ethoxy-1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]methanamine
SMILESCCOC1(CN)CCN(CCOC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O2/c1-2-17-10(9-15)3-5-16(6-4-10)7-8-18-11(12,13)14/h2-9,15H2,1H3
InChIKeyPMUTUZWAVNINRJ-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.35
Rot. Bonds6

About [4-ethoxy-1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]methanamine

[4-ethoxy-1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]methanamine (PubChem CID 114284172) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is [4-ethoxy-1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-ethoxy-1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]methanamine
PubChem CID114284172
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC Name[4-ethoxy-1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]methanamine
SMILESCCOC1(CN)CCN(CCOC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O2/c1-2-17-10(9-15)3-5-16(6-4-10)7-8-18-11(12,13)14/h2-9,15H2,1H3
InChIKeyPMUTUZWAVNINRJ-UHFFFAOYSA-N
XLogP1.35
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-ethoxy-1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]methanamine?
The IUPAC name of [4-ethoxy-1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]methanamine (CID 114284172) is [4-ethoxy-1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]methanamine.
What is the SMILES notation for [4-ethoxy-1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]methanamine?
The canonical SMILES for [4-ethoxy-1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]methanamine is CCOC1(CN)CCN(CCOC(F)(F)F)CC1.
What is the InChIKey of [4-ethoxy-1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]methanamine?
The InChIKey is PMUTUZWAVNINRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-2-17-10(9-15)3-5-16(6-4-10)7-8-18-11(12,13)14/h2-9,15H2,1H3.
What are the key properties of [4-ethoxy-1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]methanamine?
[4-ethoxy-1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]methanamine has a molecular weight of 270.29 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethoxy-1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 114284172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).