(2S)-1,1,1-trifluoro-2-(1-propan-2-ylpiperidin-4-yl)propan-2-ol

C11H20F3NO — CID 129298767

IUPAC(2S)-1,1,1-trifluoro-2-(1-propan-2-ylpiperidin-4-yl)propan-2-ol
SMILESCC(C)N1CCC([C@](C)(O)C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-8(2)15-6-4-9(5-7-15)10(3,16)11(12,13)14/h8-9,16H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyMHHSZLOBKFSUQE-JTQLQIEISA-N
MW239.28 g/mol
LogP2.42
Rot. Bonds2

About (2S)-1,1,1-trifluoro-2-(1-propan-2-ylpiperidin-4-yl)propan-2-ol

(2S)-1,1,1-trifluoro-2-(1-propan-2-ylpiperidin-4-yl)propan-2-ol (PubChem CID 129298767) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-2-(1-propan-2-ylpiperidin-4-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-2-(1-propan-2-ylpiperidin-4-yl)propan-2-ol
PubChem CID129298767
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name(2S)-1,1,1-trifluoro-2-(1-propan-2-ylpiperidin-4-yl)propan-2-ol
SMILESCC(C)N1CCC([C@](C)(O)C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-8(2)15-6-4-9(5-7-15)10(3,16)11(12,13)14/h8-9,16H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyMHHSZLOBKFSUQE-JTQLQIEISA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4-Tetramethylpiperid-4-ol
CID 129804205
1-Propan-2-yl-4-(trifluoromethyl)piperidin-4-ol
CID 58386313
1-Tert-butyl-3-(trifluoromethyl)piperidin-3-ol
CID 59539743
2,2,2-Trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol
CID 60046634
1-(2-Methylpropyl)-4-(trifluoromethyl)piperidin-4-ol
CID 70967810
4-(Difluoromethyl)-1-propan-2-ylpiperidin-4-ol
CID 80605094
1,1,1-Trifluoro-2-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol
CID 83983137
1,1,1,3,3,3-Hexafluoro-2-(1-methylpiperidin-4-yl)propan-2-ol
CID 89715300
1-Tert-butyl-4-(3,3-difluoropropyl)piperidin-4-ol
CID 90418989
4-Fluoro-3-methyl-1-propan-2-ylpiperidin-3-ol
CID 126655208
1-Propan-2-yl-3-(trifluoromethyl)piperidin-3-ol
CID 129119612
2,2-Difluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol
CID 129298365

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-2-(1-propan-2-ylpiperidin-4-yl)propan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-2-(1-propan-2-ylpiperidin-4-yl)propan-2-ol (CID 129298767) is (2S)-1,1,1-trifluoro-2-(1-propan-2-ylpiperidin-4-yl)propan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-2-(1-propan-2-ylpiperidin-4-yl)propan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-2-(1-propan-2-ylpiperidin-4-yl)propan-2-ol is CC(C)N1CCC([C@](C)(O)C(F)(F)F)CC1.
What is the InChIKey of (2S)-1,1,1-trifluoro-2-(1-propan-2-ylpiperidin-4-yl)propan-2-ol?
The InChIKey is MHHSZLOBKFSUQE-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20F3NO/c1-8(2)15-6-4-9(5-7-15)10(3,16)11(12,13)14/h8-9,16H,4-7H2,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-2-(1-propan-2-ylpiperidin-4-yl)propan-2-ol?
(2S)-1,1,1-trifluoro-2-(1-propan-2-ylpiperidin-4-yl)propan-2-ol has a molecular weight of 239.28 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-2-(1-propan-2-ylpiperidin-4-yl)propan-2-ol is sourced from PubChem (CID 129298767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).