2,2,2-trifluoro-1-phenyl-1-piperidin-1-ylethanol

C13H16F3NO — CID 70536093

IUPAC2,2,2-trifluoro-1-phenyl-1-piperidin-1-ylethanol
SMILESOC(c1ccccc1)(N1CCCCC1)C(F)(F)F
InChIInChI=1S/C13H16F3NO/c14-13(15,16)12(18,11-7-3-1-4-8-11)17-9-5-2-6-10-17/h1,3-4,7-8,18H,2,5-6,9-10H2
InChIKeyQDZWCDGSNPQSIO-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.88
Rot. Bonds2

About 2,2,2-trifluoro-1-phenyl-1-piperidin-1-ylethanol

2,2,2-trifluoro-1-phenyl-1-piperidin-1-ylethanol (PubChem CID 70536093) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-phenyl-1-piperidin-1-ylethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-phenyl-1-piperidin-1-ylethanol
PubChem CID70536093
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name2,2,2-trifluoro-1-phenyl-1-piperidin-1-ylethanol
SMILESOC(c1ccccc1)(N1CCCCC1)C(F)(F)F
InChIInChI=1S/C13H16F3NO/c14-13(15,16)12(18,11-7-3-1-4-8-11)17-9-5-2-6-10-17/h1,3-4,7-8,18H,2,5-6,9-10H2
InChIKeyQDZWCDGSNPQSIO-UHFFFAOYSA-N
XLogP2.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-phenyl-1-piperidin-1-ylethanol?
The IUPAC name of 2,2,2-trifluoro-1-phenyl-1-piperidin-1-ylethanol (CID 70536093) is 2,2,2-trifluoro-1-phenyl-1-piperidin-1-ylethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-phenyl-1-piperidin-1-ylethanol?
The canonical SMILES for 2,2,2-trifluoro-1-phenyl-1-piperidin-1-ylethanol is OC(c1ccccc1)(N1CCCCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-phenyl-1-piperidin-1-ylethanol?
The InChIKey is QDZWCDGSNPQSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)12(18,11-7-3-1-4-8-11)17-9-5-2-6-10-17/h1,3-4,7-8,18H,2,5-6,9-10H2.
What are the key properties of 2,2,2-trifluoro-1-phenyl-1-piperidin-1-ylethanol?
2,2,2-trifluoro-1-phenyl-1-piperidin-1-ylethanol has a molecular weight of 259.27 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-phenyl-1-piperidin-1-ylethanol is sourced from PubChem (CID 70536093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).