1,1,1-trifluoro-3-[methyl(2-piperazin-1-ylethyl)amino]propan-2-ol

C10H20F3N3O — CID 63900693

IUPAC1,1,1-trifluoro-3-[methyl(2-piperazin-1-ylethyl)amino]propan-2-ol
SMILESCN(CCN1CCNCC1)CC(O)C(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-15(8-9(17)10(11,12)13)6-7-16-4-2-14-3-5-16/h9,14,17H,2-8H2,1H3
InChIKeyADMCRDAURWEBMQ-UHFFFAOYSA-N
MW255.28 g/mol
LogP-0.25
Rot. Bonds5

About 1,1,1-trifluoro-3-[methyl(2-piperazin-1-ylethyl)amino]propan-2-ol

1,1,1-trifluoro-3-[methyl(2-piperazin-1-ylethyl)amino]propan-2-ol (PubChem CID 63900693) has the molecular formula C10H20F3N3O and a molecular weight of 255.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[methyl(2-piperazin-1-ylethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[methyl(2-piperazin-1-ylethyl)amino]propan-2-ol
PubChem CID63900693
Molecular FormulaC10H20F3N3O
Molecular Weight255.28 g/mol
Exact Mass255.16
IUPAC Name1,1,1-trifluoro-3-[methyl(2-piperazin-1-ylethyl)amino]propan-2-ol
SMILESCN(CCN1CCNCC1)CC(O)C(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-15(8-9(17)10(11,12)13)6-7-16-4-2-14-3-5-16/h9,14,17H,2-8H2,1H3
InChIKeyADMCRDAURWEBMQ-UHFFFAOYSA-N
XLogP-0.25
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,1,1-trifluoro-3-[methyl(2-piperazin-1-ylethyl)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 1,1,1-trifluoro-3-[methyl(2-piperazin-1-ylethyl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[methyl(2-piperazin-1-ylethyl)amino]propan-2-ol (CID 63900693) is 1,1,1-trifluoro-3-[methyl(2-piperazin-1-ylethyl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[methyl(2-piperazin-1-ylethyl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[methyl(2-piperazin-1-ylethyl)amino]propan-2-ol is CN(CCN1CCNCC1)CC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[methyl(2-piperazin-1-ylethyl)amino]propan-2-ol?
The InChIKey is ADMCRDAURWEBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O/c1-15(8-9(17)10(11,12)13)6-7-16-4-2-14-3-5-16/h9,14,17H,2-8H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[methyl(2-piperazin-1-ylethyl)amino]propan-2-ol?
1,1,1-trifluoro-3-[methyl(2-piperazin-1-ylethyl)amino]propan-2-ol has a molecular weight of 255.28 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[methyl(2-piperazin-1-ylethyl)amino]propan-2-ol is sourced from PubChem (CID 63900693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).