2-[3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]piperidin-1-yl]ethanol

C12H23F3N2O — CID 56709394

IUPAC2-[3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]piperidin-1-yl]ethanol
SMILESCN(CCC(F)(F)F)CC1CCCN(CCO)C1
InChIInChI=1S/C12H23F3N2O/c1-16(6-4-12(13,14)15)9-11-3-2-5-17(10-11)7-8-18/h11,18H,2-10H2,1H3
InChIKeyYTERNYBKHGNKLP-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.57
Rot. Bonds6

About 2-[3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]piperidin-1-yl]ethanol

2-[3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]piperidin-1-yl]ethanol (PubChem CID 56709394) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]piperidin-1-yl]ethanol
PubChem CID56709394
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name2-[3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]piperidin-1-yl]ethanol
SMILESCN(CCC(F)(F)F)CC1CCCN(CCO)C1
InChIInChI=1S/C12H23F3N2O/c1-16(6-4-12(13,14)15)9-11-3-2-5-17(10-11)7-8-18/h11,18H,2-10H2,1H3
InChIKeyYTERNYBKHGNKLP-UHFFFAOYSA-N
XLogP1.57
TPSA26.71 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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]piperidin-1-yl]ethanol (CID 56709394) is 2-[3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]piperidin-1-yl]ethanol is CN(CCC(F)(F)F)CC1CCCN(CCO)C1.
What is the InChIKey of 2-[3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]piperidin-1-yl]ethanol?
The InChIKey is YTERNYBKHGNKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-16(6-4-12(13,14)15)9-11-3-2-5-17(10-11)7-8-18/h11,18H,2-10H2,1H3.
What are the key properties of 2-[3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]piperidin-1-yl]ethanol?
2-[3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]piperidin-1-yl]ethanol has a molecular weight of 268.32 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 56709394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).