(3-methoxypiperidin-1-yl) 2,2,2-trifluoroacetate

C8H12F3NO3 — CID 174644487

IUPAC(3-methoxypiperidin-1-yl) 2,2,2-trifluoroacetate
SMILESCOC1CCCN(OC(=O)C(F)(F)F)C1
InChIInChI=1S/C8H12F3NO3/c1-14-6-3-2-4-12(5-6)15-7(13)8(9,10)11/h6H,2-5H2,1H3
InChIKeyJPQRSDYZTJAZPB-UHFFFAOYSA-N
MW227.18 g/mol
LogP1.12
Rot. Bonds2

About (3-methoxypiperidin-1-yl) 2,2,2-trifluoroacetate

(3-methoxypiperidin-1-yl) 2,2,2-trifluoroacetate (PubChem CID 174644487) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is (3-methoxypiperidin-1-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(3-methoxypiperidin-1-yl) 2,2,2-trifluoroacetate
PubChem CID174644487
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Name(3-methoxypiperidin-1-yl) 2,2,2-trifluoroacetate
SMILESCOC1CCCN(OC(=O)C(F)(F)F)C1
InChIInChI=1S/C8H12F3NO3/c1-14-6-3-2-4-12(5-6)15-7(13)8(9,10)11/h6H,2-5H2,1H3
InChIKeyJPQRSDYZTJAZPB-UHFFFAOYSA-N
XLogP1.12
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylmorpholin-4-yl) 2,2,2-trifluoroacetate
CID 68841732
[3-(cyclopropylmethoxy)azetidin-1-yl] 2,2,2-trifluoroacetate
CID 146272877
3-methoxypiperidine-1-carbonyl chloride
CID 102969135
[(3S)-3-sulfanylpiperidin-1-yl] 2,2-dimethylpropanoate
CID 175267538
[4-(2-acetamidoethyl)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 68877986
[(2R)-2-(methoxymethyl)azetidin-1-yl] 2,2,2-trifluoroacetate
CID 68949600
[4-(methoxymethyl)-4-methylpiperidin-1-yl] 2,2,2-trifluoroacetate
CID 69487812
[(3R)-3-fluoropyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174512176
2-amino-1-(3-methoxypiperidin-1-yl)ethanone
CID 66564450
(3R)-3-methoxy-1-methylpiperidine
CID 70315605
(6-methoxycyclohepten-1-yl) 2,2,2-trifluoroacetate
CID 22730878
[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174815191

Frequently Asked Questions

What is the IUPAC name of (3-methoxypiperidin-1-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (3-methoxypiperidin-1-yl) 2,2,2-trifluoroacetate (CID 174644487) is (3-methoxypiperidin-1-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (3-methoxypiperidin-1-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (3-methoxypiperidin-1-yl) 2,2,2-trifluoroacetate is COC1CCCN(OC(=O)C(F)(F)F)C1.
What is the InChIKey of (3-methoxypiperidin-1-yl) 2,2,2-trifluoroacetate?
The InChIKey is JPQRSDYZTJAZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO3/c1-14-6-3-2-4-12(5-6)15-7(13)8(9,10)11/h6H,2-5H2,1H3.
What are the key properties of (3-methoxypiperidin-1-yl) 2,2,2-trifluoroacetate?
(3-methoxypiperidin-1-yl) 2,2,2-trifluoroacetate has a molecular weight of 227.18 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypiperidin-1-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 174644487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).