2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol

C10H19F3N2O — CID 126549520

IUPAC2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCN1CCC(N(CCO)CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O/c1-14-4-2-9(3-5-14)15(6-7-16)8-10(11,12)13/h9,16H,2-8H2,1H3
InChIKeyKDWCNJULWJWFJN-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.94
Rot. Bonds4

About 2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol

2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 126549520) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID126549520
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCN1CCC(N(CCO)CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O/c1-14-4-2-9(3-5-14)15(6-7-16)8-10(11,12)13/h9,16H,2-8H2,1H3
InChIKeyKDWCNJULWJWFJN-UHFFFAOYSA-N
XLogP0.94
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 126549520) is 2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol is CN1CCC(N(CCO)CC(F)(F)F)CC1.
What is the InChIKey of 2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is KDWCNJULWJWFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-14-4-2-9(3-5-14)15(6-7-16)8-10(11,12)13/h9,16H,2-8H2,1H3.
What are the key properties of 2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 240.27 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 126549520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).