5-(2,2-difluoroethylamino)-1-methylpiperidine-3-carboxylic acid

C9H16F2N2O2 — CID 83992756

IUPAC5-(2,2-difluoroethylamino)-1-methylpiperidine-3-carboxylic acid
SMILESCN1CC(NCC(F)F)CC(C(=O)O)C1
InChIInChI=1S/C9H16F2N2O2/c1-13-4-6(9(14)15)2-7(5-13)12-3-8(10)11/h6-8,12H,2-5H2,1H3,(H,14,15)
InChIKeyYQFABOJXBUTRDZ-UHFFFAOYSA-N
MW222.23 g/mol
LogP0.25
Rot. Bonds4

About 5-(2,2-difluoroethylamino)-1-methylpiperidine-3-carboxylic acid

5-(2,2-difluoroethylamino)-1-methylpiperidine-3-carboxylic acid (PubChem CID 83992756) has the molecular formula C9H16F2N2O2 and a molecular weight of 222.23 g/mol. Its IUPAC name is 5-(2,2-difluoroethylamino)-1-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,2-difluoroethylamino)-1-methylpiperidine-3-carboxylic acid
PubChem CID83992756
Molecular FormulaC9H16F2N2O2
Molecular Weight222.23 g/mol
Exact Mass222.12
IUPAC Name5-(2,2-difluoroethylamino)-1-methylpiperidine-3-carboxylic acid
SMILESCN1CC(NCC(F)F)CC(C(=O)O)C1
InChIInChI=1S/C9H16F2N2O2/c1-13-4-6(9(14)15)2-7(5-13)12-3-8(10)11/h6-8,12H,2-5H2,1H3,(H,14,15)
InChIKeyYQFABOJXBUTRDZ-UHFFFAOYSA-N
XLogP0.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,2-difluoroethylamino)-1-propanoylpiperidine-3-carboxylic acid
CID 83993007
1-(2-acetamidoethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid
CID 83993434
ethyl 2-[5-(2,2-difluoroethylamino)-1-methylpiperidin-3-yl]acetate
CID 83992762
methyl 5-(2,2-difluoroethylamino)-1-propylpiperidine-3-carboxylate
CID 83992828
methyl 1-acetyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate
CID 83992984
N-(2,2-difluoroethyl)-1,5-dimethylpyrrolidin-3-amine
CID 115406076
methyl 5-(2,2-difluoroethylamino)-1-propanoylpiperidine-3-carboxylate
CID 83993008
(3R,5S)-5-acetyl-1-methylpiperidine-3-carboxylic acid
CID 59778322
methyl 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate
CID 83993140
1-[3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 83992992
2-[3-(2,2-difluoroethylamino)-5-methylpiperidin-1-yl]ethanol
CID 83993383
3-[5-(2,2-difluoroethylamino)-1-propan-2-ylpiperidin-3-yl]propanoic acid
CID 83992910

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethylamino)-1-methylpiperidine-3-carboxylic acid?
The IUPAC name of 5-(2,2-difluoroethylamino)-1-methylpiperidine-3-carboxylic acid (CID 83992756) is 5-(2,2-difluoroethylamino)-1-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 5-(2,2-difluoroethylamino)-1-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 5-(2,2-difluoroethylamino)-1-methylpiperidine-3-carboxylic acid is CN1CC(NCC(F)F)CC(C(=O)O)C1.
What is the InChIKey of 5-(2,2-difluoroethylamino)-1-methylpiperidine-3-carboxylic acid?
The InChIKey is YQFABOJXBUTRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O2/c1-13-4-6(9(14)15)2-7(5-13)12-3-8(10)11/h6-8,12H,2-5H2,1H3,(H,14,15).
What are the key properties of 5-(2,2-difluoroethylamino)-1-methylpiperidine-3-carboxylic acid?
5-(2,2-difluoroethylamino)-1-methylpiperidine-3-carboxylic acid has a molecular weight of 222.23 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethylamino)-1-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 83992756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).