1-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol

C13H23F3N2O — CID 83992470

IUPAC1-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
SMILESCCC(O)C1CC(NCC(F)(F)F)CN(C2CC2)C1
InChIInChI=1S/C13H23F3N2O/c1-2-12(19)9-5-10(17-8-13(14,15)16)7-18(6-9)11-3-4-11/h9-12,17,19H,2-8H2,1H3
InChIKeyUDAUUDNCOKARFX-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.76
Rot. Bonds5

About 1-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol

1-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol (PubChem CID 83992470) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
PubChem CID83992470
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name1-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
SMILESCCC(O)C1CC(NCC(F)(F)F)CN(C2CC2)C1
InChIInChI=1S/C13H23F3N2O/c1-2-12(19)9-5-10(17-8-13(14,15)16)7-18(6-9)11-3-4-11/h9-12,17,19H,2-8H2,1H3
InChIKeyUDAUUDNCOKARFX-UHFFFAOYSA-N
XLogP1.76
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol?
The IUPAC name of 1-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol (CID 83992470) is 1-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 1-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol?
The canonical SMILES for 1-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol is CCC(O)C1CC(NCC(F)(F)F)CN(C2CC2)C1.
What is the InChIKey of 1-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol?
The InChIKey is UDAUUDNCOKARFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-2-12(19)9-5-10(17-8-13(14,15)16)7-18(6-9)11-3-4-11/h9-12,17,19H,2-8H2,1H3.
What are the key properties of 1-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol?
1-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol has a molecular weight of 280.33 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 83992470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).