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

C12H20F2N2O2 — CID 83993224

IUPAC1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid
SMILESO=C(O)C1CC(NCC(F)F)CN(CC2CC2)C1
InChIInChI=1S/C12H20F2N2O2/c13-11(14)4-15-10-3-9(12(17)18)6-16(7-10)5-8-1-2-8/h8-11,15H,1-7H2,(H,17,18)
InChIKeyYIJVURAFKXXKLG-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.03
Rot. Bonds6

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

1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid (PubChem CID 83993224) has the molecular formula C12H20F2N2O2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid
PubChem CID83993224
Molecular FormulaC12H20F2N2O2
Molecular Weight262.30 g/mol
Exact Mass262.15
IUPAC Name1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid
SMILESO=C(O)C1CC(NCC(F)F)CN(CC2CC2)C1
InChIInChI=1S/C12H20F2N2O2/c13-11(14)4-15-10-3-9(12(17)18)6-16(7-10)5-8-1-2-8/h8-11,15H,1-7H2,(H,17,18)
InChIKeyYIJVURAFKXXKLG-UHFFFAOYSA-N
XLogP1.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid (CID 83993224) is 1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid is O=C(O)C1CC(NCC(F)F)CN(CC2CC2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid?
The InChIKey is YIJVURAFKXXKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O2/c13-11(14)4-15-10-3-9(12(17)18)6-16(7-10)5-8-1-2-8/h8-11,15H,1-7H2,(H,17,18).
What are the key properties of 1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid?
1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid has a molecular weight of 262.30 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 83993224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).