2-[1-(3,3,3-trifluoropropyl)piperidin-2-yl]ethanol

C10H18F3NO — CID 60690266

IUPAC2-[1-(3,3,3-trifluoropropyl)piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1CCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)5-7-14-6-2-1-3-9(14)4-8-15/h9,15H,1-8H2
InChIKeyJDNLYVSKZNTEKX-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.18
Rot. Bonds4

About 2-[1-(3,3,3-trifluoropropyl)piperidin-2-yl]ethanol

2-[1-(3,3,3-trifluoropropyl)piperidin-2-yl]ethanol (PubChem CID 60690266) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[1-(3,3,3-trifluoropropyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3,3,3-trifluoropropyl)piperidin-2-yl]ethanol
PubChem CID60690266
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2-[1-(3,3,3-trifluoropropyl)piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1CCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)5-7-14-6-2-1-3-9(14)4-8-15/h9,15H,1-8H2
InChIKeyJDNLYVSKZNTEKX-UHFFFAOYSA-N
XLogP2.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3,3-trifluoropropyl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(3,3,3-trifluoropropyl)piperidin-2-yl]ethanol (CID 60690266) is 2-[1-(3,3,3-trifluoropropyl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(3,3,3-trifluoropropyl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(3,3,3-trifluoropropyl)piperidin-2-yl]ethanol is OCCC1CCCCN1CCC(F)(F)F.
What is the InChIKey of 2-[1-(3,3,3-trifluoropropyl)piperidin-2-yl]ethanol?
The InChIKey is JDNLYVSKZNTEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)5-7-14-6-2-1-3-9(14)4-8-15/h9,15H,1-8H2.
What are the key properties of 2-[1-(3,3,3-trifluoropropyl)piperidin-2-yl]ethanol?
2-[1-(3,3,3-trifluoropropyl)piperidin-2-yl]ethanol has a molecular weight of 225.25 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3,3-trifluoropropyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 60690266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).