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

C10H19F3N2O2 — CID 126847022

IUPAC1,1,1-trifluoro-3-[2-hydroxyethyl(piperidin-4-yl)amino]propan-2-ol
SMILESOCCN(CC(O)C(F)(F)F)C1CCNCC1
InChIInChI=1S/C10H19F3N2O2/c11-10(12,13)9(17)7-15(5-6-16)8-1-3-14-4-2-8/h8-9,14,16-17H,1-7H2
InChIKeyCIXUAUYIGAIKIH-UHFFFAOYSA-N
MW256.27 g/mol
LogP-0.04
Rot. Bonds5

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

1,1,1-trifluoro-3-[2-hydroxyethyl(piperidin-4-yl)amino]propan-2-ol (PubChem CID 126847022) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[2-hydroxyethyl(piperidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[2-hydroxyethyl(piperidin-4-yl)amino]propan-2-ol
PubChem CID126847022
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name1,1,1-trifluoro-3-[2-hydroxyethyl(piperidin-4-yl)amino]propan-2-ol
SMILESOCCN(CC(O)C(F)(F)F)C1CCNCC1
InChIInChI=1S/C10H19F3N2O2/c11-10(12,13)9(17)7-15(5-6-16)8-1-3-14-4-2-8/h8-9,14,16-17H,1-7H2
InChIKeyCIXUAUYIGAIKIH-UHFFFAOYSA-N
XLogP-0.04
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1,1,1-trifluoro-3-[2-hydroxyethyl(piperidin-4-yl)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

Related Compounds

2-[ethyl(piperidin-4-yl)amino]ethanol;dihydrochloride
CID 56831592
2-[(2-bromo-3,3,3-trifluoropropyl)-cyclopentylamino]ethanol
CID 64758568
tert-butyl 3-[2-hydroxyethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]azetidine-1-carboxylate
CID 126846189
3-[cyclobutyl(2-hydroxyethyl)amino]propane-1,2-diol
CID 102867765
N-(2-methylpropyl)-N-[(E)-5,5,5-trifluoropent-3-enyl]piperidin-4-amine
CID 142906916
2-[cyclohexyl(2,2-difluoroethyl)amino]ethanol
CID 62016408
2-[cyclopentyl(3,3,3-trifluoropropyl)amino]ethanol
CID 64567596
6-[2,3,4,5,6-pentahydroxyhexyl(piperidin-4-yl)amino]hexane-1,2,3,4,5-pentol;dihydrochloride
CID 138560502
2-[ethyl(pyrrolidin-3-yl)amino]ethanol
CID 56831602
2,2,2-trifluoro-1-piperidin-4-ylethanol;hydrochloride
CID 66728457
(1S)-2,2,2-trifluoro-1-piperidin-4-ylethanol;hydrochloride
CID 70086662
N-propyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 60806813

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[2-hydroxyethyl(piperidin-4-yl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[2-hydroxyethyl(piperidin-4-yl)amino]propan-2-ol (CID 126847022) is 1,1,1-trifluoro-3-[2-hydroxyethyl(piperidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[2-hydroxyethyl(piperidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[2-hydroxyethyl(piperidin-4-yl)amino]propan-2-ol is OCCN(CC(O)C(F)(F)F)C1CCNCC1.
What is the InChIKey of 1,1,1-trifluoro-3-[2-hydroxyethyl(piperidin-4-yl)amino]propan-2-ol?
The InChIKey is CIXUAUYIGAIKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c11-10(12,13)9(17)7-15(5-6-16)8-1-3-14-4-2-8/h8-9,14,16-17H,1-7H2.
What are the key properties of 1,1,1-trifluoro-3-[2-hydroxyethyl(piperidin-4-yl)amino]propan-2-ol?
1,1,1-trifluoro-3-[2-hydroxyethyl(piperidin-4-yl)amino]propan-2-ol has a molecular weight of 256.27 g/mol, XLogP of -0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[2-hydroxyethyl(piperidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 126847022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).