2-[3-[4-(trifluoromethyl)piperidin-1-yl]azetidin-3-yl]acetic acid

C11H17F3N2O2 — CID 107141882

IUPAC2-[3-[4-(trifluoromethyl)piperidin-1-yl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(N2CCC(C(F)(F)F)CC2)CNC1
InChIInChI=1S/C11H17F3N2O2/c12-11(13,14)8-1-3-16(4-2-8)10(5-9(17)18)6-15-7-10/h8,15H,1-7H2,(H,17,18)
InChIKeyGLDCDHQLWSJGHN-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.08
Rot. Bonds3

About 2-[3-[4-(trifluoromethyl)piperidin-1-yl]azetidin-3-yl]acetic acid

2-[3-[4-(trifluoromethyl)piperidin-1-yl]azetidin-3-yl]acetic acid (PubChem CID 107141882) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-[3-[4-(trifluoromethyl)piperidin-1-yl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[4-(trifluoromethyl)piperidin-1-yl]azetidin-3-yl]acetic acid
PubChem CID107141882
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name2-[3-[4-(trifluoromethyl)piperidin-1-yl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(N2CCC(C(F)(F)F)CC2)CNC1
InChIInChI=1S/C11H17F3N2O2/c12-11(13,14)8-1-3-16(4-2-8)10(5-9(17)18)6-15-7-10/h8,15H,1-7H2,(H,17,18)
InChIKeyGLDCDHQLWSJGHN-UHFFFAOYSA-N
XLogP1.08
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-3-yl]acetic acid
CID 107141559
2-[3-(azepan-1-yl)azetidin-3-yl]acetic acid
CID 107141430
2-[3-(4-piperidin-1-ylpiperidin-1-yl)azetidin-3-yl]acetic acid
CID 107141587
2-[3-(4-propylazepan-1-yl)azetidin-3-yl]acetic acid
CID 107141865
2-[3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetic acid
CID 107141424
2-[3-[3-(aminomethyl)pyrrolidin-1-yl]azetidin-3-yl]acetic acid
CID 107141762
2-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]acetic acid
CID 107141899
2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)azetidin-3-yl]acetic acid
CID 107141922
2-[3-(3,4-dimethoxypyrrolidin-1-yl)azetidin-3-yl]acetic acid
CID 107143242
2-[3-[3-(methoxymethyl)piperidin-1-yl]azetidin-3-yl]acetic acid
CID 107143244
2-[3-(3,3-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid
CID 107141855
2-[3-[2-(hydroxymethyl)morpholin-4-yl]azetidin-3-yl]acetic acid
CID 107141943

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(trifluoromethyl)piperidin-1-yl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[4-(trifluoromethyl)piperidin-1-yl]azetidin-3-yl]acetic acid (CID 107141882) is 2-[3-[4-(trifluoromethyl)piperidin-1-yl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[4-(trifluoromethyl)piperidin-1-yl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[4-(trifluoromethyl)piperidin-1-yl]azetidin-3-yl]acetic acid is O=C(O)CC1(N2CCC(C(F)(F)F)CC2)CNC1.
What is the InChIKey of 2-[3-[4-(trifluoromethyl)piperidin-1-yl]azetidin-3-yl]acetic acid?
The InChIKey is GLDCDHQLWSJGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c12-11(13,14)8-1-3-16(4-2-8)10(5-9(17)18)6-15-7-10/h8,15H,1-7H2,(H,17,18).
What are the key properties of 2-[3-[4-(trifluoromethyl)piperidin-1-yl]azetidin-3-yl]acetic acid?
2-[3-[4-(trifluoromethyl)piperidin-1-yl]azetidin-3-yl]acetic acid has a molecular weight of 266.26 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(trifluoromethyl)piperidin-1-yl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107141882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).