1-[2,2-difluoroethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid

C11H18F2N2O3 — CID 106744560

IUPAC1-[2,2-difluoroethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)N(C)CC(F)F
InChIInChI=1S/C11H18F2N2O3/c1-7-5-8(10(16)17)3-4-15(7)11(18)14(2)6-9(12)13/h7-9H,3-6H2,1-2H3,(H,16,17)
InChIKeyIHVHDKXVZLAESD-UHFFFAOYSA-N
MW264.27 g/mol
LogP1.49
Rot. Bonds3

About 1-[2,2-difluoroethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid

1-[2,2-difluoroethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 106744560) has the molecular formula C11H18F2N2O3 and a molecular weight of 264.27 g/mol. Its IUPAC name is 1-[2,2-difluoroethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2,2-difluoroethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID106744560
Molecular FormulaC11H18F2N2O3
Molecular Weight264.27 g/mol
Exact Mass264.13
IUPAC Name1-[2,2-difluoroethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)N(C)CC(F)F
InChIInChI=1S/C11H18F2N2O3/c1-7-5-8(10(16)17)3-4-15(7)11(18)14(2)6-9(12)13/h7-9H,3-6H2,1-2H3,(H,16,17)
InChIKeyIHVHDKXVZLAESD-UHFFFAOYSA-N
XLogP1.49
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-difluoroethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2,2-difluoroethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid (CID 106744560) is 1-[2,2-difluoroethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2,2-difluoroethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2,2-difluoroethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)N(C)CC(F)F.
What is the InChIKey of 1-[2,2-difluoroethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is IHVHDKXVZLAESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O3/c1-7-5-8(10(16)17)3-4-15(7)11(18)14(2)6-9(12)13/h7-9H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 1-[2,2-difluoroethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
1-[2,2-difluoroethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 264.27 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-difluoroethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106744560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).