3-[(2S,6R)-6-(trifluoromethyl)piperidin-2-yl]propan-1-ol

C9H16F3NO — CID 11138394

IUPAC3-[(2S,6R)-6-(trifluoromethyl)piperidin-2-yl]propan-1-ol
SMILESOCCC[C@@H]1CCC[C@H](C(F)(F)F)N1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)8-5-1-3-7(13-8)4-2-6-14/h7-8,13-14H,1-6H2/t7-,8+/m0/s1
InChIKeyHAXFKVGXPZWRFT-JGVFFNPUSA-N
MW211.23 g/mol
LogP1.83
Rot. Bonds3

About 3-[(2S,6R)-6-(trifluoromethyl)piperidin-2-yl]propan-1-ol

3-[(2S,6R)-6-(trifluoromethyl)piperidin-2-yl]propan-1-ol (PubChem CID 11138394) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3-[(2S,6R)-6-(trifluoromethyl)piperidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(2S,6R)-6-(trifluoromethyl)piperidin-2-yl]propan-1-ol
PubChem CID11138394
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name3-[(2S,6R)-6-(trifluoromethyl)piperidin-2-yl]propan-1-ol
SMILESOCCC[C@@H]1CCC[C@H](C(F)(F)F)N1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)8-5-1-3-7(13-8)4-2-6-14/h7-8,13-14H,1-6H2/t7-,8+/m0/s1
InChIKeyHAXFKVGXPZWRFT-JGVFFNPUSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Piperidinepropanol
CID 32383
rac-2-((2R,6R)-6-methylpiperidin-2-yl)ethan-1-ol
CID 26792944
2-[6-(Trifluoromethyl)piperidin-2-yl]ethanol
CID 44295821
2,2-Difluoro-2-(piperidin-2-yl)ethan-1-ol
CID 146155546
cis-2-Methyl-6-(3-hydroxynonyl)piperidine
CID 57359655
(2R)-2-Piperidinepropanol
CID 12471551
1-[(2R,6R)-6-Methylpiperidin-2-yl]nonan-3-ol
CID 370503
(2S,4R,6S)-2-nonyl-6-(trifluoromethyl)piperidin-4-ol
CID 16080227
1,1,1-Trifluoro-5-piperidin-2-ylpentan-2-ol
CID 84735634
2-[(2S)-piperidin-1-ium-2-yl]ethanol
CID 6566022
2-(4-Fluoropiperidin-2-yl)ethanol
CID 91521233
[(2S)-5,5-difluoropiperidin-2-yl]methanol
CID 97357063

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,6R)-6-(trifluoromethyl)piperidin-2-yl]propan-1-ol?
The IUPAC name of 3-[(2S,6R)-6-(trifluoromethyl)piperidin-2-yl]propan-1-ol (CID 11138394) is 3-[(2S,6R)-6-(trifluoromethyl)piperidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[(2S,6R)-6-(trifluoromethyl)piperidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[(2S,6R)-6-(trifluoromethyl)piperidin-2-yl]propan-1-ol is OCCC[C@@H]1CCC[C@H](C(F)(F)F)N1.
What is the InChIKey of 3-[(2S,6R)-6-(trifluoromethyl)piperidin-2-yl]propan-1-ol?
The InChIKey is HAXFKVGXPZWRFT-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)8-5-1-3-7(13-8)4-2-6-14/h7-8,13-14H,1-6H2/t7-,8+/m0/s1.
What are the key properties of 3-[(2S,6R)-6-(trifluoromethyl)piperidin-2-yl]propan-1-ol?
3-[(2S,6R)-6-(trifluoromethyl)piperidin-2-yl]propan-1-ol has a molecular weight of 211.23 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,6R)-6-(trifluoromethyl)piperidin-2-yl]propan-1-ol is sourced from PubChem (CID 11138394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).