4,4,4-trifluoro-3-[2-(hydroxymethyl)piperidin-1-yl]butanoic acid

C10H16F3NO3 — CID 83825569

IUPAC4,4,4-trifluoro-3-[2-(hydroxymethyl)piperidin-1-yl]butanoic acid
SMILESO=C(O)CC(N1CCCCC1CO)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)8(5-9(16)17)14-4-2-1-3-7(14)6-15/h7-8,15H,1-6H2,(H,16,17)
InChIKeyYNKQYLUGZRDBHN-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.24
Rot. Bonds4

About 4,4,4-trifluoro-3-[2-(hydroxymethyl)piperidin-1-yl]butanoic acid

4,4,4-trifluoro-3-[2-(hydroxymethyl)piperidin-1-yl]butanoic acid (PubChem CID 83825569) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-[2-(hydroxymethyl)piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name4,4,4-trifluoro-3-[2-(hydroxymethyl)piperidin-1-yl]butanoic acid
PubChem CID83825569
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name4,4,4-trifluoro-3-[2-(hydroxymethyl)piperidin-1-yl]butanoic acid
SMILESO=C(O)CC(N1CCCCC1CO)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)8(5-9(16)17)14-4-2-1-3-7(14)6-15/h7-8,15H,1-6H2,(H,16,17)
InChIKeyYNKQYLUGZRDBHN-UHFFFAOYSA-N
XLogP1.24
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-cyclopentylpyrrolidin-1-yl)-4,4,4-trifluorobutanoic acid
CID 63067625
3-(3-aminopiperidin-1-yl)-4,4,4-trifluorobutanoic acid
CID 83824790
2-[2-(hydroxymethyl)piperidin-1-yl]propanehydrazide
CID 63583148
3-(2-propylpiperidin-1-yl)butanoic acid
CID 83055410
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutanoic acid
CID 61407625
3-[3-(dimethylamino)pyrrolidin-1-yl]-4,4,4-trifluorobutanoic acid
CID 55225240
ethyl 2-[2-(hydroxymethyl)piperidin-1-yl]butanoate
CID 64662609
3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propanoic acid
CID 94161350
(2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]piperidine-1-carboxamide
CID 97306483
1-(4-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 62037342
2-[2-(hydroxymethyl)azepan-1-yl]-1-phenylpropan-1-one
CID 116635361
2-[2-(hydroxymethyl)piperidin-1-yl]-N-propylpropanamide
CID 62020613

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-[2-(hydroxymethyl)piperidin-1-yl]butanoic acid?
The IUPAC name of 4,4,4-trifluoro-3-[2-(hydroxymethyl)piperidin-1-yl]butanoic acid (CID 83825569) is 4,4,4-trifluoro-3-[2-(hydroxymethyl)piperidin-1-yl]butanoic acid.
What is the SMILES notation for 4,4,4-trifluoro-3-[2-(hydroxymethyl)piperidin-1-yl]butanoic acid?
The canonical SMILES for 4,4,4-trifluoro-3-[2-(hydroxymethyl)piperidin-1-yl]butanoic acid is O=C(O)CC(N1CCCCC1CO)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-[2-(hydroxymethyl)piperidin-1-yl]butanoic acid?
The InChIKey is YNKQYLUGZRDBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c11-10(12,13)8(5-9(16)17)14-4-2-1-3-7(14)6-15/h7-8,15H,1-6H2,(H,16,17).
What are the key properties of 4,4,4-trifluoro-3-[2-(hydroxymethyl)piperidin-1-yl]butanoic acid?
4,4,4-trifluoro-3-[2-(hydroxymethyl)piperidin-1-yl]butanoic acid has a molecular weight of 255.24 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-[2-(hydroxymethyl)piperidin-1-yl]butanoic acid is sourced from PubChem (CID 83825569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).