2,2,6,6-tetrakis(1,1,1-trifluoropropan-2-yl)piperidin-4-ol

C17H23F12NO — CID 87591657

IUPAC2,2,6,6-tetrakis(1,1,1-trifluoropropan-2-yl)piperidin-4-ol
SMILESCC(C(F)(F)F)C1(C(C)C(F)(F)F)CC(O)CC(C(C)C(F)(F)F)(C(C)C(F)(F)F)N1
InChIInChI=1S/C17H23F12NO/c1-7(14(18,19)20)12(8(2)15(21,22)23)5-11(31)6-13(30-12,9(3)16(24,25)26)10(4)17(27,28)29/h7-11,30-31H,5-6H2,1-4H3
InChIKeyUAZRGIIRBDGWRO-UHFFFAOYSA-N
MW485.35 g/mol
LogP6.00
Rot. Bonds4

About 2,2,6,6-tetrakis(1,1,1-trifluoropropan-2-yl)piperidin-4-ol

2,2,6,6-tetrakis(1,1,1-trifluoropropan-2-yl)piperidin-4-ol (PubChem CID 87591657) has the molecular formula C17H23F12NO and a molecular weight of 485.35 g/mol. Its IUPAC name is 2,2,6,6-tetrakis(1,1,1-trifluoropropan-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name2,2,6,6-tetrakis(1,1,1-trifluoropropan-2-yl)piperidin-4-ol
PubChem CID87591657
Molecular FormulaC17H23F12NO
Molecular Weight485.35 g/mol
Exact Mass485.16
IUPAC Name2,2,6,6-tetrakis(1,1,1-trifluoropropan-2-yl)piperidin-4-ol
SMILESCC(C(F)(F)F)C1(C(C)C(F)(F)F)CC(O)CC(C(C)C(F)(F)F)(C(C)C(F)(F)F)N1
InChIInChI=1S/C17H23F12NO/c1-7(14(18,19)20)12(8(2)15(21,22)23)5-11(31)6-13(30-12,9(3)16(24,25)26)10(4)17(27,28)29/h7-11,30-31H,5-6H2,1-4H3
InChIKeyUAZRGIIRBDGWRO-UHFFFAOYSA-N
XLogP6.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.35
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetrakis(1,1,1-trifluoropropan-2-yl)piperidin-4-ol?
The IUPAC name of 2,2,6,6-tetrakis(1,1,1-trifluoropropan-2-yl)piperidin-4-ol (CID 87591657) is 2,2,6,6-tetrakis(1,1,1-trifluoropropan-2-yl)piperidin-4-ol.
What is the SMILES notation for 2,2,6,6-tetrakis(1,1,1-trifluoropropan-2-yl)piperidin-4-ol?
The canonical SMILES for 2,2,6,6-tetrakis(1,1,1-trifluoropropan-2-yl)piperidin-4-ol is CC(C(F)(F)F)C1(C(C)C(F)(F)F)CC(O)CC(C(C)C(F)(F)F)(C(C)C(F)(F)F)N1.
What is the InChIKey of 2,2,6,6-tetrakis(1,1,1-trifluoropropan-2-yl)piperidin-4-ol?
The InChIKey is UAZRGIIRBDGWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F12NO/c1-7(14(18,19)20)12(8(2)15(21,22)23)5-11(31)6-13(30-12,9(3)16(24,25)26)10(4)17(27,28)29/h7-11,30-31H,5-6H2,1-4H3.
What are the key properties of 2,2,6,6-tetrakis(1,1,1-trifluoropropan-2-yl)piperidin-4-ol?
2,2,6,6-tetrakis(1,1,1-trifluoropropan-2-yl)piperidin-4-ol has a molecular weight of 485.35 g/mol, XLogP of 6.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetrakis(1,1,1-trifluoropropan-2-yl)piperidin-4-ol is sourced from PubChem (CID 87591657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).