1-tert-butyl-3-(trifluoromethyl)piperidin-4-ol

C10H18F3NO — CID 90176901

IUPAC1-tert-butyl-3-(trifluoromethyl)piperidin-4-ol
SMILESCC(C)(C)N1CCC(O)C(C(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-9(2,3)14-5-4-8(15)7(6-14)10(11,12)13/h7-8,15H,4-6H2,1-3H3
InChIKeyGTHFZTJJUYSTRA-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.03
Rot. Bonds

About 1-tert-butyl-3-(trifluoromethyl)piperidin-4-ol

1-tert-butyl-3-(trifluoromethyl)piperidin-4-ol (PubChem CID 90176901) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-tert-butyl-3-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-tert-butyl-3-(trifluoromethyl)piperidin-4-ol
PubChem CID90176901
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1-tert-butyl-3-(trifluoromethyl)piperidin-4-ol
SMILESCC(C)(C)N1CCC(O)C(C(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-9(2,3)14-5-4-8(15)7(6-14)10(11,12)13/h7-8,15H,4-6H2,1-3H3
InChIKeyGTHFZTJJUYSTRA-UHFFFAOYSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-tert-butyl-3-(trifluoromethyl)piperidin-4-ol (CID 90176901) is 1-tert-butyl-3-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-tert-butyl-3-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-tert-butyl-3-(trifluoromethyl)piperidin-4-ol is CC(C)(C)N1CCC(O)C(C(F)(F)F)C1.
What is the InChIKey of 1-tert-butyl-3-(trifluoromethyl)piperidin-4-ol?
The InChIKey is GTHFZTJJUYSTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-9(2,3)14-5-4-8(15)7(6-14)10(11,12)13/h7-8,15H,4-6H2,1-3H3.
What are the key properties of 1-tert-butyl-3-(trifluoromethyl)piperidin-4-ol?
1-tert-butyl-3-(trifluoromethyl)piperidin-4-ol has a molecular weight of 225.25 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 90176901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).