1-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]ethanol

C11H20F3NO — CID 106837465

IUPAC1-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(CCCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-9(16)10-3-7-15(8-4-10)6-2-5-11(12,13)14/h9-10,16H,2-8H2,1H3
InChIKeyMTNXRDDMOAKPQX-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.42
Rot. Bonds4

About 1-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]ethanol

1-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]ethanol (PubChem CID 106837465) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]ethanol
PubChem CID106837465
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name1-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(CCCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-9(16)10-3-7-15(8-4-10)6-2-5-11(12,13)14/h9-10,16H,2-8H2,1H3
InChIKeyMTNXRDDMOAKPQX-UHFFFAOYSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]ethanol (CID 106837465) is 1-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]ethanol is CC(O)C1CCN(CCCC(F)(F)F)CC1.
What is the InChIKey of 1-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]ethanol?
The InChIKey is MTNXRDDMOAKPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-9(16)10-3-7-15(8-4-10)6-2-5-11(12,13)14/h9-10,16H,2-8H2,1H3.
What are the key properties of 1-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]ethanol?
1-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]ethanol has a molecular weight of 239.28 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 106837465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).