(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-ol

C9H18FNO — CID 155287409

IUPAC(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)C[C@@H](O)[C@@H](F)C(C)(C)N1
InChIInChI=1S/C9H18FNO/c1-8(2)5-6(12)7(10)9(3,4)11-8/h6-7,11-12H,5H2,1-4H3/t6-,7-/m1/s1
InChIKeyVGWSDMVKVCEELZ-RNFRBKRXSA-N
MW175.25 g/mol
LogP1.24
Rot. Bonds

About (3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-ol

(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 155287409) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is (3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID155287409
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)C[C@@H](O)[C@@H](F)C(C)(C)N1
InChIInChI=1S/C9H18FNO/c1-8(2)5-6(12)7(10)9(3,4)11-8/h6-7,11-12H,5H2,1-4H3/t6-,7-/m1/s1
InChIKeyVGWSDMVKVCEELZ-RNFRBKRXSA-N
XLogP1.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of (3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-ol (CID 155287409) is (3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for (3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for (3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-ol is CC1(C)C[C@@H](O)[C@@H](F)C(C)(C)N1.
What is the InChIKey of (3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is VGWSDMVKVCEELZ-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H18FNO/c1-8(2)5-6(12)7(10)9(3,4)11-8/h6-7,11-12H,5H2,1-4H3/t6-,7-/m1/s1.
What are the key properties of (3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-ol?
(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 175.25 g/mol, XLogP of 1.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 155287409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).