1,1,1-trifluoro-4-piperidin-3-ylbutan-2-ol

C9H16F3NO — CID 84734548

IUPAC1,1,1-trifluoro-4-piperidin-3-ylbutan-2-ol
SMILESOC(CCC1CCCNC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c10-9(11,12)8(14)4-3-7-2-1-5-13-6-7/h7-8,13-14H,1-6H2
InChIKeyUJSPOQAGMQGZPC-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.69
Rot. Bonds3

About 1,1,1-trifluoro-4-piperidin-3-ylbutan-2-ol

1,1,1-trifluoro-4-piperidin-3-ylbutan-2-ol (PubChem CID 84734548) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-piperidin-3-ylbutan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-4-piperidin-3-ylbutan-2-ol
PubChem CID84734548
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name1,1,1-trifluoro-4-piperidin-3-ylbutan-2-ol
SMILESOC(CCC1CCCNC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c10-9(11,12)8(14)4-3-7-2-1-5-13-6-7/h7-8,13-14H,1-6H2
InChIKeyUJSPOQAGMQGZPC-UHFFFAOYSA-N
XLogP1.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-piperidin-3-ylbutan-2-ol?
The IUPAC name of 1,1,1-trifluoro-4-piperidin-3-ylbutan-2-ol (CID 84734548) is 1,1,1-trifluoro-4-piperidin-3-ylbutan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-4-piperidin-3-ylbutan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-4-piperidin-3-ylbutan-2-ol is OC(CCC1CCCNC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-piperidin-3-ylbutan-2-ol?
The InChIKey is UJSPOQAGMQGZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)8(14)4-3-7-2-1-5-13-6-7/h7-8,13-14H,1-6H2.
What are the key properties of 1,1,1-trifluoro-4-piperidin-3-ylbutan-2-ol?
1,1,1-trifluoro-4-piperidin-3-ylbutan-2-ol has a molecular weight of 211.23 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-piperidin-3-ylbutan-2-ol is sourced from PubChem (CID 84734548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).