3-(4-tert-butylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol

C12H22F3NO — CID 63902263

IUPAC3-(4-tert-butylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESCC(C)(C)C1CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-11(2,3)9-4-6-16(7-5-9)8-10(17)12(13,14)15/h9-10,17H,4-8H2,1-3H3
InChIKeyWYUJSAGDQGRSOV-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.67
Rot. Bonds2

About 3-(4-tert-butylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol

3-(4-tert-butylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 63902263) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-(4-tert-butylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(4-tert-butylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID63902263
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name3-(4-tert-butylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESCC(C)(C)C1CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-11(2,3)9-4-6-16(7-5-9)8-10(17)12(13,14)15/h9-10,17H,4-8H2,1-3H3
InChIKeyWYUJSAGDQGRSOV-UHFFFAOYSA-N
XLogP2.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(4-tert-butylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol (CID 63902263) is 3-(4-tert-butylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(4-tert-butylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(4-tert-butylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol is CC(C)(C)C1CCN(CC(O)C(F)(F)F)CC1.
What is the InChIKey of 3-(4-tert-butylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is WYUJSAGDQGRSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-11(2,3)9-4-6-16(7-5-9)8-10(17)12(13,14)15/h9-10,17H,4-8H2,1-3H3.
What are the key properties of 3-(4-tert-butylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol?
3-(4-tert-butylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 253.31 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63902263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).