1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]azetidine-2-carboxylic acid

C11H17F3N2O2 — CID 86692770

IUPAC1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]azetidine-2-carboxylic acid
SMILESO=C(O)C1CCN1C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O2/c12-11(13,14)7-15-4-1-8(2-5-15)16-6-3-9(16)10(17)18/h8-9H,1-7H2,(H,17,18)
InChIKeyGYXJUPPWEWVANZ-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.17
Rot. Bonds3

About 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]azetidine-2-carboxylic acid

1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]azetidine-2-carboxylic acid (PubChem CID 86692770) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]azetidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]azetidine-2-carboxylic acid
PubChem CID86692770
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]azetidine-2-carboxylic acid
SMILESO=C(O)C1CCN1C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O2/c12-11(13,14)7-15-4-1-8(2-5-15)16-6-3-9(16)10(17)18/h8-9H,1-7H2,(H,17,18)
InChIKeyGYXJUPPWEWVANZ-UHFFFAOYSA-N
XLogP1.17
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

lithium 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]azetidine-2-carboxylate
CID 86692769
N-(2-hydroxy-2-methylpropyl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 71845243
(2R)-N-(2-hydroxy-2-methylpropyl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 97076011
1-[1-(2-hydroxy-2,3-dimethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 114494851
1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 54906959
1-[1-(2-ethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 65065192
1-(1-methylsulfonylpiperidin-4-yl)azetidine-2-carboxylic acid
CID 86692779
1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020449
1-(1-heptylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 61020567
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid
CID 19990612
(2S)-2-amino-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanoic acid
CID 177277776
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid;hydrochloride
CID 67945691

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]azetidine-2-carboxylic acid?
The IUPAC name of 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]azetidine-2-carboxylic acid (CID 86692770) is 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]azetidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]azetidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]azetidine-2-carboxylic acid is O=C(O)C1CCN1C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]azetidine-2-carboxylic acid?
The InChIKey is GYXJUPPWEWVANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c12-11(13,14)7-15-4-1-8(2-5-15)16-6-3-9(16)10(17)18/h8-9H,1-7H2,(H,17,18).
What are the key properties of 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]azetidine-2-carboxylic acid?
1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]azetidine-2-carboxylic acid has a molecular weight of 266.26 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]azetidine-2-carboxylic acid is sourced from PubChem (CID 86692770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).