3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoic acid

C10H17F3N2O2 — CID 43774865

IUPAC3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoic acid
SMILESO=C(O)CCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)7-15-5-2-8(3-6-15)14-4-1-9(16)17/h8,14H,1-7H2,(H,16,17)
InChIKeyPKBDNXHLBLKXNZ-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.08
Rot. Bonds5

About 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoic acid

3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoic acid (PubChem CID 43774865) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoic acid
PubChem CID43774865
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoic acid
SMILESO=C(O)CCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)7-15-5-2-8(3-6-15)14-4-1-9(16)17/h8,14H,1-7H2,(H,16,17)
InChIKeyPKBDNXHLBLKXNZ-UHFFFAOYSA-N
XLogP1.08
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoic acid?
The IUPAC name of 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoic acid (CID 43774865) is 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoic acid.
What is the SMILES notation for 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoic acid?
The canonical SMILES for 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoic acid is O=C(O)CCNC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoic acid?
The InChIKey is PKBDNXHLBLKXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c11-10(12,13)7-15-5-2-8(3-6-15)14-4-1-9(16)17/h8,14H,1-7H2,(H,16,17).
What are the key properties of 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoic acid?
3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoic acid has a molecular weight of 254.25 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoic acid is sourced from PubChem (CID 43774865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).