4-(hydroxymethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid

C8H14F3NO4 — CID 67270916

IUPAC4-(hydroxymethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OCC1(O)CCNCC1
InChIInChI=1S/C6H13NO2.C2HF3O2/c8-5-6(9)1-3-7-4-2-6;3-2(4,5)1(6)7/h7-9H,1-5H2;(H,6,7)
InChIKeyJHNOTBHNOMSRFH-UHFFFAOYSA-N
MW245.20 g/mol
LogP-0.27
Rot. Bonds1

About 4-(hydroxymethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid

4-(hydroxymethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid (PubChem CID 67270916) has the molecular formula C8H14F3NO4 and a molecular weight of 245.20 g/mol. Its IUPAC name is 4-(hydroxymethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(hydroxymethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid
PubChem CID67270916
Molecular FormulaC8H14F3NO4
Molecular Weight245.20 g/mol
Exact Mass245.09
IUPAC Name4-(hydroxymethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OCC1(O)CCNCC1
InChIInChI=1S/C6H13NO2.C2HF3O2/c8-5-6(9)1-3-7-4-2-6;3-2(4,5)1(6)7/h7-9H,1-5H2;(H,6,7)
InChIKeyJHNOTBHNOMSRFH-UHFFFAOYSA-N
XLogP-0.27
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)piperidin-4-ol;bis(2,2,2-trifluoroacetic acid)
CID 155165177
piperazine;bis(2,2,2-trifluoroacetic acid)
CID 88726631
4-propan-2-ylpiperidin-4-ol;2,2,2-trifluoroacetic acid
CID 68600448
pyrrolidine;2,2,2-trifluoroacetic acid
CID 56840277
2-(4-hydroxypiperidin-4-yl)acetic acid
CID 15565781
2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 175831728
3-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride
CID 86277019
azepane;2,2,2-trifluoroacetic acid;hydrate
CID 157278760
1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 22507707
6-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 90185681
1,3,8-triazaspiro[4.5]decane-2,4-dione;2,2,2-trifluoroacetic acid
CID 68564691
1-(aminomethyl)cyclopentan-1-ol;2,2,2-trifluoroacetic acid
CID 72698248

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(hydroxymethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid (CID 67270916) is 4-(hydroxymethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(hydroxymethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(hydroxymethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.OCC1(O)CCNCC1.
What is the InChIKey of 4-(hydroxymethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid?
The InChIKey is JHNOTBHNOMSRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.C2HF3O2/c8-5-6(9)1-3-7-4-2-6;3-2(4,5)1(6)7/h7-9H,1-5H2;(H,6,7).
What are the key properties of 4-(hydroxymethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid?
4-(hydroxymethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid has a molecular weight of 245.20 g/mol, XLogP of -0.27, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67270916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).