2-(4-tert-butyl-3-fluoropiperidin-1-yl)ethanol

C11H22FNO — CID 58530696

IUPAC2-(4-tert-butyl-3-fluoropiperidin-1-yl)ethanol
SMILESCC(C)(C)C1CCN(CCO)CC1F
InChIInChI=1S/C11H22FNO/c1-11(2,3)9-4-5-13(6-7-14)8-10(9)12/h9-10,14H,4-8H2,1-3H3
InChIKeyUFIUXDGONBJUTL-UHFFFAOYSA-N
MW203.30 g/mol
LogP1.68
Rot. Bonds2

About 2-(4-tert-butyl-3-fluoropiperidin-1-yl)ethanol

2-(4-tert-butyl-3-fluoropiperidin-1-yl)ethanol (PubChem CID 58530696) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 2-(4-tert-butyl-3-fluoropiperidin-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-tert-butyl-3-fluoropiperidin-1-yl)ethanol
PubChem CID58530696
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name2-(4-tert-butyl-3-fluoropiperidin-1-yl)ethanol
SMILESCC(C)(C)C1CCN(CCO)CC1F
InChIInChI=1S/C11H22FNO/c1-11(2,3)9-4-5-13(6-7-14)8-10(9)12/h9-10,14H,4-8H2,1-3H3
InChIKeyUFIUXDGONBJUTL-UHFFFAOYSA-N
XLogP1.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-3-fluoropiperidin-1-yl)ethanol?
The IUPAC name of 2-(4-tert-butyl-3-fluoropiperidin-1-yl)ethanol (CID 58530696) is 2-(4-tert-butyl-3-fluoropiperidin-1-yl)ethanol.
What is the SMILES notation for 2-(4-tert-butyl-3-fluoropiperidin-1-yl)ethanol?
The canonical SMILES for 2-(4-tert-butyl-3-fluoropiperidin-1-yl)ethanol is CC(C)(C)C1CCN(CCO)CC1F.
What is the InChIKey of 2-(4-tert-butyl-3-fluoropiperidin-1-yl)ethanol?
The InChIKey is UFIUXDGONBJUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-11(2,3)9-4-5-13(6-7-14)8-10(9)12/h9-10,14H,4-8H2,1-3H3.
What are the key properties of 2-(4-tert-butyl-3-fluoropiperidin-1-yl)ethanol?
2-(4-tert-butyl-3-fluoropiperidin-1-yl)ethanol has a molecular weight of 203.30 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-3-fluoropiperidin-1-yl)ethanol is sourced from PubChem (CID 58530696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).