2-(3-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C12H23F3N2O — CID 55087914

IUPAC2-(3-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCOC1CCCN(C(C)CNCC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O/c1-3-18-11-5-4-6-17(8-11)10(2)7-16-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyVBJCHLBODGTUPN-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.03
Rot. Bonds6

About 2-(3-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(3-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 55087914) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(3-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID55087914
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name2-(3-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCOC1CCCN(C(C)CNCC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O/c1-3-18-11-5-4-6-17(8-11)10(2)7-16-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyVBJCHLBODGTUPN-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(3-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 55087914) is 2-(3-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(3-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(3-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is CCOC1CCCN(C(C)CNCC(F)(F)F)C1.
What is the InChIKey of 2-(3-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is VBJCHLBODGTUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-3-18-11-5-4-6-17(8-11)10(2)7-16-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3.
What are the key properties of 2-(3-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(3-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 268.32 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 55087914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).