4-propan-2-ylpiperidin-4-ol;2,2,2-trifluoroacetic acid

C10H18F3NO3 — CID 68600448

IUPAC4-propan-2-ylpiperidin-4-ol;2,2,2-trifluoroacetic acid
SMILESCC(C)C1(O)CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H17NO.C2HF3O2/c1-7(2)8(10)3-5-9-6-4-8;3-2(4,5)1(6)7/h7,9-10H,3-6H2,1-2H3;(H,6,7)
InChIKeyWGKHKPDTXXOMAO-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.39
Rot. Bonds1

About 4-propan-2-ylpiperidin-4-ol;2,2,2-trifluoroacetic acid

4-propan-2-ylpiperidin-4-ol;2,2,2-trifluoroacetic acid (PubChem CID 68600448) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-propan-2-ylpiperidin-4-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-propan-2-ylpiperidin-4-ol;2,2,2-trifluoroacetic acid
PubChem CID68600448
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Name4-propan-2-ylpiperidin-4-ol;2,2,2-trifluoroacetic acid
SMILESCC(C)C1(O)CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H17NO.C2HF3O2/c1-7(2)8(10)3-5-9-6-4-8;3-2(4,5)1(6)7/h7,9-10H,3-6H2,1-2H3;(H,6,7)
InChIKeyWGKHKPDTXXOMAO-UHFFFAOYSA-N
XLogP1.39
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(hydroxymethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid
CID 67270916
piperazine;bis(2,2,2-trifluoroacetic acid)
CID 88726631
4-(aminomethyl)piperidin-4-ol;bis(2,2,2-trifluoroacetic acid)
CID 155165177
pyrrolidine;2,2,2-trifluoroacetic acid
CID 56840277
2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 175831728
azepane;2,2,2-trifluoroacetic acid;hydrate
CID 157278760
1-(2-methylpropyl)piperazine;2,2,2-trifluoroacetic acid
CID 118367131
1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 22507707
3,3-difluoropiperidine;2,2,2-trifluoroacetic acid
CID 174927195
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-(4-hydroxypiperidin-4-yl)-2,2-dimethylpropyl]-methylcarbamic acid
CID 175491966

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylpiperidin-4-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-propan-2-ylpiperidin-4-ol;2,2,2-trifluoroacetic acid (CID 68600448) is 4-propan-2-ylpiperidin-4-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-propan-2-ylpiperidin-4-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-propan-2-ylpiperidin-4-ol;2,2,2-trifluoroacetic acid is CC(C)C1(O)CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-propan-2-ylpiperidin-4-ol;2,2,2-trifluoroacetic acid?
The InChIKey is WGKHKPDTXXOMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C2HF3O2/c1-7(2)8(10)3-5-9-6-4-8;3-2(4,5)1(6)7/h7,9-10H,3-6H2,1-2H3;(H,6,7).
What are the key properties of 4-propan-2-ylpiperidin-4-ol;2,2,2-trifluoroacetic acid?
4-propan-2-ylpiperidin-4-ol;2,2,2-trifluoroacetic acid has a molecular weight of 257.25 g/mol, XLogP of 1.39, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylpiperidin-4-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68600448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).