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

C10H19F3N2O — CID 65279796

IUPAC1-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCC(O)CN(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C10H19F3N2O/c1-8(16)6-15(7-10(11,12)13)9-2-4-14-5-3-9/h8-9,14,16H,2-7H2,1H3
InChIKeyKTEKWNOJFKISGF-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.98
Rot. Bonds4

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

1-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]propan-2-ol (PubChem CID 65279796) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]propan-2-ol
PubChem CID65279796
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name1-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCC(O)CN(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C10H19F3N2O/c1-8(16)6-15(7-10(11,12)13)9-2-4-14-5-3-9/h8-9,14,16H,2-7H2,1H3
InChIKeyKTEKWNOJFKISGF-UHFFFAOYSA-N
XLogP0.98
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]propan-2-ol 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 1-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The IUPAC name of 1-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]propan-2-ol (CID 65279796) is 1-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]propan-2-ol.
What is the SMILES notation for 1-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The canonical SMILES for 1-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]propan-2-ol is CC(O)CN(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of 1-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The InChIKey is KTEKWNOJFKISGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-8(16)6-15(7-10(11,12)13)9-2-4-14-5-3-9/h8-9,14,16H,2-7H2,1H3.
What are the key properties of 1-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]propan-2-ol?
1-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]propan-2-ol has a molecular weight of 240.27 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]propan-2-ol is sourced from PubChem (CID 65279796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).