5,5,5-trifluoro-2-methyl-4-piperazin-1-ylpentan-2-ol

C10H19F3N2O — CID 83824795

IUPAC5,5,5-trifluoro-2-methyl-4-piperazin-1-ylpentan-2-ol
SMILESCC(C)(O)CC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-9(2,16)7-8(10(11,12)13)15-5-3-14-4-6-15/h8,14,16H,3-7H2,1-2H3
InChIKeyGPHVVRWFNKKZKG-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.98
Rot. Bonds3

About 5,5,5-trifluoro-2-methyl-4-piperazin-1-ylpentan-2-ol

5,5,5-trifluoro-2-methyl-4-piperazin-1-ylpentan-2-ol (PubChem CID 83824795) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 5,5,5-trifluoro-2-methyl-4-piperazin-1-ylpentan-2-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-2-methyl-4-piperazin-1-ylpentan-2-ol
PubChem CID83824795
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name5,5,5-trifluoro-2-methyl-4-piperazin-1-ylpentan-2-ol
SMILESCC(C)(O)CC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-9(2,16)7-8(10(11,12)13)15-5-3-14-4-6-15/h8,14,16H,3-7H2,1-2H3
InChIKeyGPHVVRWFNKKZKG-UHFFFAOYSA-N
XLogP0.98
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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 5,5,5-trifluoro-2-methyl-4-piperazin-1-ylpentan-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

1,1,1-Trifluoro-2-piperazin-2-ylpropan-2-ol
CID 139532565
4-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol
CID 62222207
1-[4-(3-Amino-1,1,1-trifluoropentan-2-yl)piperazin-1-yl]-2-methylpropan-2-ol
CID 64311581
1-Amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-ol
CID 64820735
1-Amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol
CID 64820737
1-Amino-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol
CID 64820954
3-(Ethylamino)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-ol
CID 65534461
3-(Methylamino)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-ol
CID 65534647
3-(Propylamino)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-ol
CID 65535228
1-Amino-2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]pentan-2-ol
CID 65545587
1-Amino-2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pentan-2-ol
CID 65545708
2,4-Dimethyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-2-ol
CID 66178563

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-2-methyl-4-piperazin-1-ylpentan-2-ol?
The IUPAC name of 5,5,5-trifluoro-2-methyl-4-piperazin-1-ylpentan-2-ol (CID 83824795) is 5,5,5-trifluoro-2-methyl-4-piperazin-1-ylpentan-2-ol.
What is the SMILES notation for 5,5,5-trifluoro-2-methyl-4-piperazin-1-ylpentan-2-ol?
The canonical SMILES for 5,5,5-trifluoro-2-methyl-4-piperazin-1-ylpentan-2-ol is CC(C)(O)CC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-2-methyl-4-piperazin-1-ylpentan-2-ol?
The InChIKey is GPHVVRWFNKKZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-9(2,16)7-8(10(11,12)13)15-5-3-14-4-6-15/h8,14,16H,3-7H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-2-methyl-4-piperazin-1-ylpentan-2-ol?
5,5,5-trifluoro-2-methyl-4-piperazin-1-ylpentan-2-ol has a molecular weight of 240.27 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-2-methyl-4-piperazin-1-ylpentan-2-ol is sourced from PubChem (CID 83824795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).