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

C11H18F2N2O2 — CID 83993154

IUPAC1-cyclopropyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid
SMILESO=C(O)C1CC(NCC(F)F)CN(C2CC2)C1
InChIInChI=1S/C11H18F2N2O2/c12-10(13)4-14-8-3-7(11(16)17)5-15(6-8)9-1-2-9/h7-10,14H,1-6H2,(H,16,17)
InChIKeyYDNOCOVBYVDWDH-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.78
Rot. Bonds5

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

1-cyclopropyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid (PubChem CID 83993154) has the molecular formula C11H18F2N2O2 and a molecular weight of 248.27 g/mol. Its IUPAC name is 1-cyclopropyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid
PubChem CID83993154
Molecular FormulaC11H18F2N2O2
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name1-cyclopropyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid
SMILESO=C(O)C1CC(NCC(F)F)CN(C2CC2)C1
InChIInChI=1S/C11H18F2N2O2/c12-10(13)4-14-8-3-7(11(16)17)5-15(6-8)9-1-2-9/h7-10,14H,1-6H2,(H,16,17)
InChIKeyYDNOCOVBYVDWDH-UHFFFAOYSA-N
XLogP0.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid (CID 83993154) is 1-cyclopropyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid is O=C(O)C1CC(NCC(F)F)CN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid?
The InChIKey is YDNOCOVBYVDWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O2/c12-10(13)4-14-8-3-7(11(16)17)5-15(6-8)9-1-2-9/h7-10,14H,1-6H2,(H,16,17).
What are the key properties of 1-cyclopropyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid?
1-cyclopropyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid has a molecular weight of 248.27 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 83993154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).