1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid

C13H22F2N2O2 — CID 83993139

IUPAC1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid
SMILESO=C(O)C1CC(NCC(F)F)CN(C2CCCC2)C1
InChIInChI=1S/C13H22F2N2O2/c14-12(15)6-16-10-5-9(13(18)19)7-17(8-10)11-3-1-2-4-11/h9-12,16H,1-8H2,(H,18,19)
InChIKeyJZYGIXBWKKMTNL-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.56
Rot. Bonds5

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

1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid (PubChem CID 83993139) has the molecular formula C13H22F2N2O2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid
PubChem CID83993139
Molecular FormulaC13H22F2N2O2
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid
SMILESO=C(O)C1CC(NCC(F)F)CN(C2CCCC2)C1
InChIInChI=1S/C13H22F2N2O2/c14-12(15)6-16-10-5-9(13(18)19)7-17(8-10)11-3-1-2-4-11/h9-12,16H,1-8H2,(H,18,19)
InChIKeyJZYGIXBWKKMTNL-UHFFFAOYSA-N
XLogP1.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid?
The IUPAC name of 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid (CID 83993139) is 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid is O=C(O)C1CC(NCC(F)F)CN(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid?
The InChIKey is JZYGIXBWKKMTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O2/c14-12(15)6-16-10-5-9(13(18)19)7-17(8-10)11-3-1-2-4-11/h9-12,16H,1-8H2,(H,18,19).
What are the key properties of 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid?
1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid has a molecular weight of 276.33 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 83993139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).