3-(3-ethoxypiperidin-1-yl)-4,4,4-trifluorobutan-1-amine

C11H21F3N2O — CID 54985515

IUPAC3-(3-ethoxypiperidin-1-yl)-4,4,4-trifluorobutan-1-amine
SMILESCCOC1CCCN(C(CCN)C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-2-17-9-4-3-7-16(8-9)10(5-6-15)11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyZJONXVYQFXUYOT-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.77
Rot. Bonds5

About 3-(3-ethoxypiperidin-1-yl)-4,4,4-trifluorobutan-1-amine

3-(3-ethoxypiperidin-1-yl)-4,4,4-trifluorobutan-1-amine (PubChem CID 54985515) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-(3-ethoxypiperidin-1-yl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name3-(3-ethoxypiperidin-1-yl)-4,4,4-trifluorobutan-1-amine
PubChem CID54985515
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name3-(3-ethoxypiperidin-1-yl)-4,4,4-trifluorobutan-1-amine
SMILESCCOC1CCCN(C(CCN)C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-2-17-9-4-3-7-16(8-9)10(5-6-15)11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyZJONXVYQFXUYOT-UHFFFAOYSA-N
XLogP1.77
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypiperidin-1-yl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 3-(3-ethoxypiperidin-1-yl)-4,4,4-trifluorobutan-1-amine (CID 54985515) is 3-(3-ethoxypiperidin-1-yl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 3-(3-ethoxypiperidin-1-yl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 3-(3-ethoxypiperidin-1-yl)-4,4,4-trifluorobutan-1-amine is CCOC1CCCN(C(CCN)C(F)(F)F)C1.
What is the InChIKey of 3-(3-ethoxypiperidin-1-yl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is ZJONXVYQFXUYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-2-17-9-4-3-7-16(8-9)10(5-6-15)11(12,13)14/h9-10H,2-8,15H2,1H3.
What are the key properties of 3-(3-ethoxypiperidin-1-yl)-4,4,4-trifluorobutan-1-amine?
3-(3-ethoxypiperidin-1-yl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 254.30 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypiperidin-1-yl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 54985515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).