3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol

C10H19F3N2O — CID 43770625

IUPAC3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol
SMILESOCCCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)8-15-5-2-9(3-6-15)14-4-1-7-16/h9,14,16H,1-8H2
InChIKeyKSENFINRFMAXOI-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.99
Rot. Bonds5

About 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol

3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol (PubChem CID 43770625) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol
PubChem CID43770625
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol
SMILESOCCCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)8-15-5-2-9(3-6-15)14-4-1-7-16/h9,14,16H,1-8H2
InChIKeyKSENFINRFMAXOI-UHFFFAOYSA-N
XLogP0.99
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol (CID 43770625) is 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol is OCCCNC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol?
The InChIKey is KSENFINRFMAXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c11-10(12,13)8-15-5-2-9(3-6-15)14-4-1-7-16/h9,14,16H,1-8H2.
What are the key properties of 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol?
3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol has a molecular weight of 240.27 g/mol, XLogP of 0.99, 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]propan-1-ol is sourced from PubChem (CID 43770625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).