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

C13H23F3N2O2 — CID 175578026

IUPAC[1-[1-ethyl-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid
SMILESCCN1CC(CC(C)(C)NC(=O)O)CCC1C(F)(F)F
InChIInChI=1S/C13H23F3N2O2/c1-4-18-8-9(5-6-10(18)13(14,15)16)7-12(2,3)17-11(19)20/h9-10,17H,4-8H2,1-3H3,(H,19,20)
InChIKeyAGDUDBQGCMHAIN-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.09
Rot. Bonds4

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

[1-[1-ethyl-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid (PubChem CID 175578026) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is [1-[1-ethyl-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[1-ethyl-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid
PubChem CID175578026
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name[1-[1-ethyl-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid
SMILESCCN1CC(CC(C)(C)NC(=O)O)CCC1C(F)(F)F
InChIInChI=1S/C13H23F3N2O2/c1-4-18-8-9(5-6-10(18)13(14,15)16)7-12(2,3)17-11(19)20/h9-10,17H,4-8H2,1-3H3,(H,19,20)
InChIKeyAGDUDBQGCMHAIN-UHFFFAOYSA-N
XLogP3.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[1-ethyl-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid?
The IUPAC name of [1-[1-ethyl-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid (CID 175578026) is [1-[1-ethyl-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid.
What is the SMILES notation for [1-[1-ethyl-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid?
The canonical SMILES for [1-[1-ethyl-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid is CCN1CC(CC(C)(C)NC(=O)O)CCC1C(F)(F)F.
What is the InChIKey of [1-[1-ethyl-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid?
The InChIKey is AGDUDBQGCMHAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-4-18-8-9(5-6-10(18)13(14,15)16)7-12(2,3)17-11(19)20/h9-10,17H,4-8H2,1-3H3,(H,19,20).
What are the key properties of [1-[1-ethyl-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid?
[1-[1-ethyl-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid has a molecular weight of 296.33 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-ethyl-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid is sourced from PubChem (CID 175578026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).