3-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxypropanoic acid

C11H18F3NO3 — CID 64566940

IUPAC3-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO3/c12-11(13,14)4-7-15-5-1-9(2-6-15)18-8-3-10(16)17/h9H,1-8H2,(H,16,17)
InChIKeySBOONDFUNBQXPU-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.89
Rot. Bonds6

About 3-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxypropanoic acid

3-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxypropanoic acid (PubChem CID 64566940) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxypropanoic acid
PubChem CID64566940
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name3-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO3/c12-11(13,14)4-7-15-5-1-9(2-6-15)18-8-3-10(16)17/h9H,1-8H2,(H,16,17)
InChIKeySBOONDFUNBQXPU-UHFFFAOYSA-N
XLogP1.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-Methylpiperidin-4-yl)oxy]propanoic acid hydrochloride
CID 146083019
3-((1-Methylpiperidin-4-yl)oxy)propanoic acid
CID 57097192
(1-Methylpiperidin-4-yl) 2,2-difluoropropanoate
CID 58571494
1,1,1-Trifluoropropan-2-yl 3-piperidin-1-ylpropanoate
CID 59203995
3-[3-(2,2,3,3,4,4,5,5,6,6-Decafluoropiperidin-1-yl)-2,2,3,3-tetrafluoropropoxy]propanoic acid
CID 130266698
(1-Ethyl-3,3-difluoropiperidin-4-yl) propanoate
CID 175835533
3-[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]oxypropanoic acid
CID 55251664
3-[1-(3,3,3-Trifluoropropanoyl)piperidin-4-yl]oxypropanoic acid
CID 63871388
3-{[1-(Trifluoroacetyl)piperidin-4-yl]oxy}propanoic acid
CID 63871567
3-[1-(2,2,2-Trifluoroethoxycarbonyl)piperidin-4-yl]oxypropanoic acid
CID 63876506
3-[1-(3,3,3-Trifluoro-2-hydroxypropyl)piperidin-4-yl]oxypropanoic acid
CID 63901922
3-[1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidin-4-yl]oxypropanoic acid
CID 63903983

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxypropanoic acid (CID 64566940) is 3-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxypropanoic acid is O=C(O)CCOC1CCN(CCC(F)(F)F)CC1.
What is the InChIKey of 3-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxypropanoic acid?
The InChIKey is SBOONDFUNBQXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c12-11(13,14)4-7-15-5-1-9(2-6-15)18-8-3-10(16)17/h9H,1-8H2,(H,16,17).
What are the key properties of 3-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxypropanoic acid?
3-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxypropanoic acid has a molecular weight of 269.26 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 64566940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).