1,1,1-trifluoro-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol

C11H21F3N2O — CID 63900205

IUPAC1,1,1-trifluoro-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
SMILESCC(C)CN1CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O/c1-9(2)7-15-3-5-16(6-4-15)8-10(17)11(12,13)14/h9-10,17H,3-8H2,1-2H3
InChIKeyQBZYBQUWOOUEGB-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.18
Rot. Bonds4

About 1,1,1-trifluoro-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol

1,1,1-trifluoro-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol (PubChem CID 63900205) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
PubChem CID63900205
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name1,1,1-trifluoro-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
SMILESCC(C)CN1CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O/c1-9(2)7-15-3-5-16(6-4-15)8-10(17)11(12,13)14/h9-10,17H,3-8H2,1-2H3
InChIKeyQBZYBQUWOOUEGB-UHFFFAOYSA-N
XLogP1.18
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 2765894
1,1,1-trifluoro-3-[4-(3,3,3-trifluoro-2-hydroxypropyl)-1,4-diazepan-1-yl]propan-2-ol
CID 2782952
3-(azocan-1-yl)-1,1,1-trifluoropropan-2-ol
CID 63901840
(2R)-1,1,1-trifluoro-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 1479938
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
ethane;1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 168904282
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
[4-(2-methylpropyl)piperazin-1-yl]methanol
CID 58575664
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-(2-methylpropyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol (CID 63900205) is 1,1,1-trifluoro-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol is CC(C)CN1CCN(CC(O)C(F)(F)F)CC1.
What is the InChIKey of 1,1,1-trifluoro-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol?
The InChIKey is QBZYBQUWOOUEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-9(2)7-15-3-5-16(6-4-15)8-10(17)11(12,13)14/h9-10,17H,3-8H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol?
1,1,1-trifluoro-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol has a molecular weight of 254.30 g/mol, XLogP of 1.18, 4 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-(2-methylpropyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 63900205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).