2-[(3-aminopiperidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid

C9H15F3N2O2 — CID 80996528

IUPAC2-[(3-aminopiperidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid
SMILESNC1CCCN(CC(C(=O)O)C(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)7(8(15)16)5-14-3-1-2-6(13)4-14/h6-7H,1-5,13H2,(H,15,16)
InChIKeyKCFXZHWPXUNNCU-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.67
Rot. Bonds3

About 2-[(3-aminopiperidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid

2-[(3-aminopiperidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid (PubChem CID 80996528) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-[(3-aminopiperidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Name2-[(3-aminopiperidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid
PubChem CID80996528
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2-[(3-aminopiperidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid
SMILESNC1CCCN(CC(C(=O)O)C(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)7(8(15)16)5-14-3-1-2-6(13)4-14/h6-7H,1-5,13H2,(H,15,16)
InChIKeyKCFXZHWPXUNNCU-UHFFFAOYSA-N
XLogP0.67
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminopiperidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid?
The IUPAC name of 2-[(3-aminopiperidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid (CID 80996528) is 2-[(3-aminopiperidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid.
What is the SMILES notation for 2-[(3-aminopiperidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid?
The canonical SMILES for 2-[(3-aminopiperidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid is NC1CCCN(CC(C(=O)O)C(F)(F)F)C1.
What is the InChIKey of 2-[(3-aminopiperidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid?
The InChIKey is KCFXZHWPXUNNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)7(8(15)16)5-14-3-1-2-6(13)4-14/h6-7H,1-5,13H2,(H,15,16).
What are the key properties of 2-[(3-aminopiperidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid?
2-[(3-aminopiperidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid has a molecular weight of 240.22 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminopiperidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid is sourced from PubChem (CID 80996528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).