[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]carbamic acid

C10H19FN2O2 — CID 139536905

IUPAC[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]carbamic acid
SMILESCC1(C)C[C@H](NC(=O)O)[C@H](F)C(C)(C)N1
InChIInChI=1S/C10H19FN2O2/c1-9(2)5-6(12-8(14)15)7(11)10(3,4)13-9/h6-7,12-13H,5H2,1-4H3,(H,14,15)/t6-,7-/m0/s1
InChIKeyMXURSYVYIGWDTI-BQBZGAKWSA-N
MW218.27 g/mol
LogP1.51
Rot. Bonds1

About [(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]carbamic acid

[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]carbamic acid (PubChem CID 139536905) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is [(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]carbamic acid
PubChem CID139536905
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Name[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]carbamic acid
SMILESCC1(C)C[C@H](NC(=O)O)[C@H](F)C(C)(C)N1
InChIInChI=1S/C10H19FN2O2/c1-9(2)5-6(12-8(14)15)7(11)10(3,4)13-9/h6-7,12-13H,5H2,1-4H3,(H,14,15)/t6-,7-/m0/s1
InChIKeyMXURSYVYIGWDTI-BQBZGAKWSA-N
XLogP1.51
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]carbamic acid?
The IUPAC name of [(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]carbamic acid (CID 139536905) is [(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]carbamic acid.
What is the SMILES notation for [(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]carbamic acid?
The canonical SMILES for [(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]carbamic acid is CC1(C)C[C@H](NC(=O)O)[C@H](F)C(C)(C)N1.
What is the InChIKey of [(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]carbamic acid?
The InChIKey is MXURSYVYIGWDTI-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H19FN2O2/c1-9(2)5-6(12-8(14)15)7(11)10(3,4)13-9/h6-7,12-13H,5H2,1-4H3,(H,14,15)/t6-,7-/m0/s1.
What are the key properties of [(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]carbamic acid?
[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]carbamic acid has a molecular weight of 218.27 g/mol, XLogP of 1.51, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]carbamic acid is sourced from PubChem (CID 139536905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).