2-[(4-ethoxypiperidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine

C11H21F3N2O — CID 103366188

IUPAC2-[(4-ethoxypiperidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCCOC1CCN(CC(CN)C(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O/c1-2-17-10-3-5-16(6-4-10)8-9(7-15)11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyYKTOUJADBDDMHY-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.62
Rot. Bonds5

About 2-[(4-ethoxypiperidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine

2-[(4-ethoxypiperidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 103366188) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[(4-ethoxypiperidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-[(4-ethoxypiperidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
PubChem CID103366188
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-[(4-ethoxypiperidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCCOC1CCN(CC(CN)C(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O/c1-2-17-10-3-5-16(6-4-10)8-9(7-15)11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyYKTOUJADBDDMHY-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxypiperidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-[(4-ethoxypiperidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine (CID 103366188) is 2-[(4-ethoxypiperidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-[(4-ethoxypiperidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-[(4-ethoxypiperidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine is CCOC1CCN(CC(CN)C(F)(F)F)CC1.
What is the InChIKey of 2-[(4-ethoxypiperidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is YKTOUJADBDDMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-2-17-10-3-5-16(6-4-10)8-9(7-15)11(12,13)14/h9-10H,2-8,15H2,1H3.
What are the key properties of 2-[(4-ethoxypiperidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine?
2-[(4-ethoxypiperidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 254.30 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxypiperidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103366188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).