[1-[1-(2-hydroxy-2-methylpropyl)-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid

C15H27F3N2O3 — CID 175578036

IUPAC[1-[1-(2-hydroxy-2-methylpropyl)-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid
SMILESCC(C)(O)CN1CC(CC(C)(C)NC(=O)O)CCC1C(F)(F)F
InChIInChI=1S/C15H27F3N2O3/c1-13(2,19-12(21)22)7-10-5-6-11(15(16,17)18)20(8-10)9-14(3,4)23/h10-11,19,23H,5-9H2,1-4H3,(H,21,22)
InChIKeyRJIVKWARHXHIEJ-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.84
Rot. Bonds5

About [1-[1-(2-hydroxy-2-methylpropyl)-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid

[1-[1-(2-hydroxy-2-methylpropyl)-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid (PubChem CID 175578036) has the molecular formula C15H27F3N2O3 and a molecular weight of 340.39 g/mol. Its IUPAC name is [1-[1-(2-hydroxy-2-methylpropyl)-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[1-(2-hydroxy-2-methylpropyl)-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid
PubChem CID175578036
Molecular FormulaC15H27F3N2O3
Molecular Weight340.39 g/mol
Exact Mass340.20
IUPAC Name[1-[1-(2-hydroxy-2-methylpropyl)-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid
SMILESCC(C)(O)CN1CC(CC(C)(C)NC(=O)O)CCC1C(F)(F)F
InChIInChI=1S/C15H27F3N2O3/c1-13(2,19-12(21)22)7-10-5-6-11(15(16,17)18)20(8-10)9-14(3,4)23/h10-11,19,23H,5-9H2,1-4H3,(H,21,22)
InChIKeyRJIVKWARHXHIEJ-UHFFFAOYSA-N
XLogP2.84
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(2-hydroxy-2-methylpropyl)-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid?
The IUPAC name of [1-[1-(2-hydroxy-2-methylpropyl)-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid (CID 175578036) is [1-[1-(2-hydroxy-2-methylpropyl)-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid.
What is the SMILES notation for [1-[1-(2-hydroxy-2-methylpropyl)-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid?
The canonical SMILES for [1-[1-(2-hydroxy-2-methylpropyl)-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid is CC(C)(O)CN1CC(CC(C)(C)NC(=O)O)CCC1C(F)(F)F.
What is the InChIKey of [1-[1-(2-hydroxy-2-methylpropyl)-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid?
The InChIKey is RJIVKWARHXHIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O3/c1-13(2,19-12(21)22)7-10-5-6-11(15(16,17)18)20(8-10)9-14(3,4)23/h10-11,19,23H,5-9H2,1-4H3,(H,21,22).
What are the key properties of [1-[1-(2-hydroxy-2-methylpropyl)-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid?
[1-[1-(2-hydroxy-2-methylpropyl)-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid has a molecular weight of 340.39 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2-hydroxy-2-methylpropyl)-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid is sourced from PubChem (CID 175578036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).