2,2-dimethyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid;hydrochloride

C11H19ClF3NO2 — CID 146019187

IUPAC2,2-dimethyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid;hydrochloride
SMILESCC(C)(CN1CCC(C(F)(F)F)CC1)C(=O)O.Cl
InChIInChI=1S/C11H18F3NO2.ClH/c1-10(2,9(16)17)7-15-5-3-8(4-6-15)11(12,13)14;/h8H,3-7H2,1-2H3,(H,16,17);1H
InChIKeyMTVNETLFZBJIDD-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.79
Rot. Bonds3

About 2,2-dimethyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid;hydrochloride

2,2-dimethyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid;hydrochloride (PubChem CID 146019187) has the molecular formula C11H19ClF3NO2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 2,2-dimethyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name2,2-dimethyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid;hydrochloride
PubChem CID146019187
Molecular FormulaC11H19ClF3NO2
Molecular Weight289.72 g/mol
Exact Mass289.11
IUPAC Name2,2-dimethyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid;hydrochloride
SMILESCC(C)(CN1CCC(C(F)(F)F)CC1)C(=O)O.Cl
InChIInChI=1S/C11H18F3NO2.ClH/c1-10(2,9(16)17)7-15-5-3-8(4-6-15)11(12,13)14;/h8H,3-7H2,1-2H3,(H,16,17);1H
InChIKeyMTVNETLFZBJIDD-UHFFFAOYSA-N
XLogP2.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid;hydrochloride?
The IUPAC name of 2,2-dimethyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid;hydrochloride (CID 146019187) is 2,2-dimethyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid;hydrochloride.
What is the SMILES notation for 2,2-dimethyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid;hydrochloride?
The canonical SMILES for 2,2-dimethyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid;hydrochloride is CC(C)(CN1CCC(C(F)(F)F)CC1)C(=O)O.Cl.
What is the InChIKey of 2,2-dimethyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid;hydrochloride?
The InChIKey is MTVNETLFZBJIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2.ClH/c1-10(2,9(16)17)7-15-5-3-8(4-6-15)11(12,13)14;/h8H,3-7H2,1-2H3,(H,16,17);1H.
What are the key properties of 2,2-dimethyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid;hydrochloride?
2,2-dimethyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid;hydrochloride has a molecular weight of 289.72 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid;hydrochloride is sourced from PubChem (CID 146019187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).