1,1,1-trifluoro-3-[3-(methylaminomethyl)piperidin-1-yl]propan-2-ol

C10H19F3N2O — CID 63899252

IUPAC1,1,1-trifluoro-3-[3-(methylaminomethyl)piperidin-1-yl]propan-2-ol
SMILESCNCC1CCCN(CC(O)C(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O/c1-14-5-8-3-2-4-15(6-8)7-9(16)10(11,12)13/h8-9,14,16H,2-7H2,1H3
InChIKeyAGZOSUWAGXSBJE-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.84
Rot. Bonds4

About 1,1,1-trifluoro-3-[3-(methylaminomethyl)piperidin-1-yl]propan-2-ol

1,1,1-trifluoro-3-[3-(methylaminomethyl)piperidin-1-yl]propan-2-ol (PubChem CID 63899252) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[3-(methylaminomethyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[3-(methylaminomethyl)piperidin-1-yl]propan-2-ol
PubChem CID63899252
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name1,1,1-trifluoro-3-[3-(methylaminomethyl)piperidin-1-yl]propan-2-ol
SMILESCNCC1CCCN(CC(O)C(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O/c1-14-5-8-3-2-4-15(6-8)7-9(16)10(11,12)13/h8-9,14,16H,2-7H2,1H3
InChIKeyAGZOSUWAGXSBJE-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-3-[3-(methylaminomethyl)piperidin-1-yl]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

Related Compounds

1-Amino-3-(3-methylpiperidin-1-yl)propan-2-ol
CID 3161650
1-[4-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]piperidin-1-yl]propan-2-ol
CID 56779871
1-(Ethylamino)-3-(4-methyl-1-piperidinyl)-2-propanol
CID 2836730
2-[3-(Aminomethyl)piperidin-1-yl]ethanol
CID 6484147
1-Amino-3-(4,4-difluoropiperidin-1-yl)propan-2-ol
CID 116991251
2-(3-{[Methyl(3,3,3-trifluoropropyl)amino]methyl}piperidin-1-YL)ethanol
CID 56709394
(2S)-1-(dimethylamino)-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 99784563
(2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
CID 103935231
1-Piperidin-1-yl-3-[[3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 121515899
(1S)-1-(2,2-difluoropropylamino)-3-[(3S)-3-methylpiperidin-1-yl]propan-1-ol
CID 144185224
(3R,5S)-4,4-difluoro-5-methylpiperidin-3-ol
CID 167458357
3-Piperidinol, 4,4-difluoro-5-methyl-, (3R,5S)-rel-
CID 167458454

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[3-(methylaminomethyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[3-(methylaminomethyl)piperidin-1-yl]propan-2-ol (CID 63899252) is 1,1,1-trifluoro-3-[3-(methylaminomethyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[3-(methylaminomethyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[3-(methylaminomethyl)piperidin-1-yl]propan-2-ol is CNCC1CCCN(CC(O)C(F)(F)F)C1.
What is the InChIKey of 1,1,1-trifluoro-3-[3-(methylaminomethyl)piperidin-1-yl]propan-2-ol?
The InChIKey is AGZOSUWAGXSBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-14-5-8-3-2-4-15(6-8)7-9(16)10(11,12)13/h8-9,14,16H,2-7H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[3-(methylaminomethyl)piperidin-1-yl]propan-2-ol?
1,1,1-trifluoro-3-[3-(methylaminomethyl)piperidin-1-yl]propan-2-ol has a molecular weight of 240.27 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[3-(methylaminomethyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 63899252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).