2-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid

C12H19F3N2O2 — CID 83992463

IUPAC2-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CC(NCC(F)(F)F)CN(C2CC2)C1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)7-16-9-3-8(4-11(18)19)5-17(6-9)10-1-2-10/h8-10,16H,1-7H2,(H,18,19)
InChIKeyXWENKBTUJFCDPI-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.47
Rot. Bonds5

About 2-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid

2-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid (PubChem CID 83992463) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
PubChem CID83992463
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name2-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CC(NCC(F)(F)F)CN(C2CC2)C1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)7-16-9-3-8(4-11(18)19)5-17(6-9)10-1-2-10/h8-10,16H,1-7H2,(H,18,19)
InChIKeyXWENKBTUJFCDPI-UHFFFAOYSA-N
XLogP1.47
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid (CID 83992463) is 2-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid is O=C(O)CC1CC(NCC(F)(F)F)CN(C2CC2)C1.
What is the InChIKey of 2-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid?
The InChIKey is XWENKBTUJFCDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c13-12(14,15)7-16-9-3-8(4-11(18)19)5-17(6-9)10-1-2-10/h8-10,16H,1-7H2,(H,18,19).
What are the key properties of 2-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid?
2-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid has a molecular weight of 280.29 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid is sourced from PubChem (CID 83992463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).