1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol

C8H15F3N2O — CID 2765894

IUPAC1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCN1CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2O/c1-12-2-4-13(5-3-12)6-7(14)8(9,10)11/h7,14H,2-6H2,1H3
InChIKeyDFEMGKICMMLUIF-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.16
Rot. Bonds2

About 1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol

1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol (PubChem CID 2765894) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol
PubChem CID2765894
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCN1CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2O/c1-12-2-4-13(5-3-12)6-7(14)8(9,10)11/h7,14H,2-6H2,1H3
InChIKeyDFEMGKICMMLUIF-UHFFFAOYSA-N
XLogP0.16
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 63900205
1,1,1-trifluoro-3-[4-(3,3,3-trifluoro-2-hydroxypropyl)-1,4-diazepan-1-yl]propan-2-ol
CID 2782952
(2R)-1,1,1-trifluoro-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 1479938
3-(azocan-1-yl)-1,1,1-trifluoropropan-2-ol
CID 63901840
2-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]acetonitrile
CID 63900880
methyl 2-[4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]piperazin-1-yl]acetate
CID 99859022
3,3,3-trifluoro-2-[(4-methylpiperazin-1-yl)methyl]propanoic acid
CID 80995891
1,1,1-trifluoro-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 63902467
3-(4,4-dimethylazepan-1-yl)-1,1,1-trifluoropropan-2-ol
CID 65282401
1-(2,2-difluoroethyl)-4-methylpiperazine
CID 76646739
3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 3844372
1,1,1-trifluoro-3-(4-hydroxyiminopiperidin-1-yl)propan-2-ol
CID 63899653

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol (CID 2765894) is 1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol is CN1CCN(CC(O)C(F)(F)F)CC1.
What is the InChIKey of 1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol?
The InChIKey is DFEMGKICMMLUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-12-2-4-13(5-3-12)6-7(14)8(9,10)11/h7,14H,2-6H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol?
1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol has a molecular weight of 212.21 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 2765894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).