2-[[1-(trifluoromethyl)piperidin-3-yl]methoxy]acetic acid

C9H14F3NO3 — CID 71649748

IUPAC2-[[1-(trifluoromethyl)piperidin-3-yl]methoxy]acetic acid
SMILESO=C(O)COCC1CCCN(C(F)(F)F)C1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)13-3-1-2-7(4-13)5-16-6-8(14)15/h7H,1-6H2,(H,14,15)
InChIKeyIAWQLLCJMXNPIU-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.32
Rot. Bonds4

About 2-[[1-(trifluoromethyl)piperidin-3-yl]methoxy]acetic acid

2-[[1-(trifluoromethyl)piperidin-3-yl]methoxy]acetic acid (PubChem CID 71649748) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2-[[1-(trifluoromethyl)piperidin-3-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[1-(trifluoromethyl)piperidin-3-yl]methoxy]acetic acid
PubChem CID71649748
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name2-[[1-(trifluoromethyl)piperidin-3-yl]methoxy]acetic acid
SMILESO=C(O)COCC1CCCN(C(F)(F)F)C1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)13-3-1-2-7(4-13)5-16-6-8(14)15/h7H,1-6H2,(H,14,15)
InChIKeyIAWQLLCJMXNPIU-UHFFFAOYSA-N
XLogP1.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-[[(3R)-1-acetylpiperidin-3-yl]methoxy]acetic acid
CID 96885372
2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methoxy]acetic acid
CID 162750163
2-[(1-methylpyrrolidin-3-yl)methoxy]acetic acid
CID 66563768
(3R)-3-(bromomethyl)-1-(trifluoromethyl)piperidine
CID 97168583
2-[[(3R)-1-acetylpyrrolidin-3-yl]methoxy]acetic acid
CID 96551850
2-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methoxy]acetic acid
CID 166266451
2-[[1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methoxy]acetic acid
CID 18396255
2-[[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfanylpyrrolidin-2-yl]methoxy]acetic acid
CID 89006832
1-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 144895414
2-[[(2R)-1-methylpiperidin-2-yl]methoxy]acetic acid
CID 92669710
2-[(3R)-1-(trifluoromethyl)piperidin-3-yl]oxyethanol
CID 71650187
(3S)-3-[2-(2-hydroxyethoxy)ethoxymethyl]piperidine-1-carboxylic acid
CID 155071696

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(trifluoromethyl)piperidin-3-yl]methoxy]acetic acid?
The IUPAC name of 2-[[1-(trifluoromethyl)piperidin-3-yl]methoxy]acetic acid (CID 71649748) is 2-[[1-(trifluoromethyl)piperidin-3-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[1-(trifluoromethyl)piperidin-3-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[1-(trifluoromethyl)piperidin-3-yl]methoxy]acetic acid is O=C(O)COCC1CCCN(C(F)(F)F)C1.
What is the InChIKey of 2-[[1-(trifluoromethyl)piperidin-3-yl]methoxy]acetic acid?
The InChIKey is IAWQLLCJMXNPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c10-9(11,12)13-3-1-2-7(4-13)5-16-6-8(14)15/h7H,1-6H2,(H,14,15).
What are the key properties of 2-[[1-(trifluoromethyl)piperidin-3-yl]methoxy]acetic acid?
2-[[1-(trifluoromethyl)piperidin-3-yl]methoxy]acetic acid has a molecular weight of 241.21 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(trifluoromethyl)piperidin-3-yl]methoxy]acetic acid is sourced from PubChem (CID 71649748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).