4-[[6-(3,3,3-trifluoro-2-hydroxypropoxy)-3-pyridinyl]oxy]piperidine-1-carboxylic acid

C14H17F3N2O5 — CID 129277675

IUPAC4-[[6-(3,3,3-trifluoro-2-hydroxypropoxy)-3-pyridinyl]oxy]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2ccc(OCC(O)C(F)(F)F)nc2)CC1
InChIInChI=1S/C14H17F3N2O5/c15-14(16,17)11(20)8-23-12-2-1-10(7-18-12)24-9-3-5-19(6-4-9)13(21)22/h1-2,7,9,11,20H,3-6,8H2,(H,21,22)
InChIKeyRLLUNBBRMXLQCT-UHFFFAOYSA-N
MW350.29 g/mol
LogP1.90
Rot. Bonds5

About 4-[[6-(3,3,3-trifluoro-2-hydroxypropoxy)-3-pyridinyl]oxy]piperidine-1-carboxylic acid

4-[[6-(3,3,3-trifluoro-2-hydroxypropoxy)-3-pyridinyl]oxy]piperidine-1-carboxylic acid (PubChem CID 129277675) has the molecular formula C14H17F3N2O5 and a molecular weight of 350.29 g/mol. Its IUPAC name is 4-[[6-(3,3,3-trifluoro-2-hydroxypropoxy)-3-pyridinyl]oxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[6-(3,3,3-trifluoro-2-hydroxypropoxy)-3-pyridinyl]oxy]piperidine-1-carboxylic acid
PubChem CID129277675
Molecular FormulaC14H17F3N2O5
Molecular Weight350.29 g/mol
Exact Mass350.11
IUPAC Name4-[[6-(3,3,3-trifluoro-2-hydroxypropoxy)-3-pyridinyl]oxy]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2ccc(OCC(O)C(F)(F)F)nc2)CC1
InChIInChI=1S/C14H17F3N2O5/c15-14(16,17)11(20)8-23-12-2-1-10(7-18-12)24-9-3-5-19(6-4-9)13(21)22/h1-2,7,9,11,20H,3-6,8H2,(H,21,22)
InChIKeyRLLUNBBRMXLQCT-UHFFFAOYSA-N
XLogP1.90
TPSA92.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[6-(3,3,3-trifluoro-2-hydroxypropoxy)-3-pyridinyl]oxy]piperidine-1-carboxylic acid with MolForge

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Related Compounds

4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 126505601
4-[[5-(1-aminoethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 135155112
[4-(4-chlorophenoxy)piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 67169308
2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 129277984
4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]piperidine-1-carboxylic acid
CID 146461655
4-[[6-(2-phenylmethoxyethylamino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 129278172
(3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid
CID 175135309
4-naphthalen-2-yloxypiperidine-1-carboxylic acid
CID 18423340
(2R)-2-phenoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propan-1-one
CID 97104981
1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-phenylbutan-1-one
CID 90566394
4-(4-pyridin-4-yloxycyclohexyl)oxypiperidine-1-carboxylic acid
CID 123525099
4-[4-[(5-methylsulfonyl-2-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylic acid
CID 71224944

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(3,3,3-trifluoro-2-hydroxypropoxy)-3-pyridinyl]oxy]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[6-(3,3,3-trifluoro-2-hydroxypropoxy)-3-pyridinyl]oxy]piperidine-1-carboxylic acid (CID 129277675) is 4-[[6-(3,3,3-trifluoro-2-hydroxypropoxy)-3-pyridinyl]oxy]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[6-(3,3,3-trifluoro-2-hydroxypropoxy)-3-pyridinyl]oxy]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[6-(3,3,3-trifluoro-2-hydroxypropoxy)-3-pyridinyl]oxy]piperidine-1-carboxylic acid is O=C(O)N1CCC(Oc2ccc(OCC(O)C(F)(F)F)nc2)CC1.
What is the InChIKey of 4-[[6-(3,3,3-trifluoro-2-hydroxypropoxy)-3-pyridinyl]oxy]piperidine-1-carboxylic acid?
The InChIKey is RLLUNBBRMXLQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O5/c15-14(16,17)11(20)8-23-12-2-1-10(7-18-12)24-9-3-5-19(6-4-9)13(21)22/h1-2,7,9,11,20H,3-6,8H2,(H,21,22).
What are the key properties of 4-[[6-(3,3,3-trifluoro-2-hydroxypropoxy)-3-pyridinyl]oxy]piperidine-1-carboxylic acid?
4-[[6-(3,3,3-trifluoro-2-hydroxypropoxy)-3-pyridinyl]oxy]piperidine-1-carboxylic acid has a molecular weight of 350.29 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(3,3,3-trifluoro-2-hydroxypropoxy)-3-pyridinyl]oxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 129277675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).