[(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]methanol

C7H12F3NO — CID 122163382

IUPAC[(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]methanol
SMILESOC[C@@H]1CCCN[C@@H]1C(F)(F)F
InChIInChI=1S/C7H12F3NO/c8-7(9,10)6-5(4-12)2-1-3-11-6/h5-6,11-12H,1-4H2/t5-,6-/m0/s1
InChIKeyDNWDMUDDYZFFKI-WDSKDSINSA-N
MW183.17 g/mol
LogP0.91
Rot. Bonds1

About [(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]methanol

[(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]methanol (PubChem CID 122163382) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is [(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]methanol
PubChem CID122163382
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name[(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]methanol
SMILESOC[C@@H]1CCCN[C@@H]1C(F)(F)F
InChIInChI=1S/C7H12F3NO/c8-7(9,10)6-5(4-12)2-1-3-11-6/h5-6,11-12H,1-4H2/t5-,6-/m0/s1
InChIKeyDNWDMUDDYZFFKI-WDSKDSINSA-N
XLogP0.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]methanol?
The IUPAC name of [(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]methanol (CID 122163382) is [(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]methanol?
The canonical SMILES for [(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]methanol is OC[C@@H]1CCCN[C@@H]1C(F)(F)F.
What is the InChIKey of [(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]methanol?
The InChIKey is DNWDMUDDYZFFKI-WDSKDSINSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)6-5(4-12)2-1-3-11-6/h5-6,11-12H,1-4H2/t5-,6-/m0/s1.
What are the key properties of [(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]methanol?
[(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]methanol has a molecular weight of 183.17 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 122163382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).