2-(4-hydroxypiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid

C9H14F3NO5 — CID 146049773

IUPAC2-(4-hydroxypiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)CN1CCC(O)CC1
InChIInChI=1S/C7H13NO3.C2HF3O2/c9-6-1-3-8(4-2-6)5-7(10)11;3-2(4,5)1(6)7/h6,9H,1-5H2,(H,10,11);(H,6,7)
InChIKeyFPOGAADVJZPAJC-UHFFFAOYSA-N
MW273.21 g/mol
LogP0.16
Rot. Bonds2

About 2-(4-hydroxypiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid

2-(4-hydroxypiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid (PubChem CID 146049773) has the molecular formula C9H14F3NO5 and a molecular weight of 273.21 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid
PubChem CID146049773
Molecular FormulaC9H14F3NO5
Molecular Weight273.21 g/mol
Exact Mass273.08
IUPAC Name2-(4-hydroxypiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)CN1CCC(O)CC1
InChIInChI=1S/C7H13NO3.C2HF3O2/c9-6-1-3-8(4-2-6)5-7(10)11;3-2(4,5)1(6)7/h6,9H,1-5H2,(H,10,11);(H,6,7)
InChIKeyFPOGAADVJZPAJC-UHFFFAOYSA-N
XLogP0.16
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid (CID 146049773) is 2-(4-hydroxypiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)CN1CCC(O)CC1.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid?
The InChIKey is FPOGAADVJZPAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.C2HF3O2/c9-6-1-3-8(4-2-6)5-7(10)11;3-2(4,5)1(6)7/h6,9H,1-5H2,(H,10,11);(H,6,7).
What are the key properties of 2-(4-hydroxypiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid?
2-(4-hydroxypiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid has a molecular weight of 273.21 g/mol, XLogP of 0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146049773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).