[(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]methanol

C10H20FNO — CID 134429372

IUPAC[(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]methanol
SMILESCC(C)(C)N1CCC[C@@](F)(CO)C1
InChIInChI=1S/C10H20FNO/c1-9(2,3)12-6-4-5-10(11,7-12)8-13/h13H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyZOIHISDEAWYNCC-JTQLQIEISA-N
MW189.27 g/mol
LogP1.58
Rot. Bonds1

About [(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]methanol

[(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]methanol (PubChem CID 134429372) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is [(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]methanol
PubChem CID134429372
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name[(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]methanol
SMILESCC(C)(C)N1CCC[C@@](F)(CO)C1
InChIInChI=1S/C10H20FNO/c1-9(2,3)12-6-4-5-10(11,7-12)8-13/h13H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyZOIHISDEAWYNCC-JTQLQIEISA-N
XLogP1.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]methanol (CID 134429372) is [(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]methanol is CC(C)(C)N1CCC[C@@](F)(CO)C1.
What is the InChIKey of [(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]methanol?
The InChIKey is ZOIHISDEAWYNCC-JTQLQIEISA-N. The full InChI is InChI=1S/C10H20FNO/c1-9(2,3)12-6-4-5-10(11,7-12)8-13/h13H,4-8H2,1-3H3/t10-/m0/s1.
What are the key properties of [(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]methanol?
[(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]methanol has a molecular weight of 189.27 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]methanol is sourced from PubChem (CID 134429372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).