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

C17H20F3N3O — CID 2738521

IUPAC1,1,1-trifluoro-3-[4-(2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol
SMILESCc1cc(N2CCN(CC(O)C(F)(F)F)CC2)c2ccccc2n1
InChIInChI=1S/C17H20F3N3O/c1-12-10-15(13-4-2-3-5-14(13)21-12)23-8-6-22(7-9-23)11-16(24)17(18,19)20/h2-5,10,16,24H,6-9,11H2,1H3
InChIKeyXOWPOGWURHLQBU-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.59
Rot. Bonds3

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

1,1,1-trifluoro-3-[4-(2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol (PubChem CID 2738521) has the molecular formula C17H20F3N3O and a molecular weight of 339.36 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[4-(2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[4-(2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol
PubChem CID2738521
Molecular FormulaC17H20F3N3O
Molecular Weight339.36 g/mol
Exact Mass339.16
IUPAC Name1,1,1-trifluoro-3-[4-(2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol
SMILESCc1cc(N2CCN(CC(O)C(F)(F)F)CC2)c2ccccc2n1
InChIInChI=1S/C17H20F3N3O/c1-12-10-15(13-4-2-3-5-14(13)21-12)23-8-6-22(7-9-23)11-16(24)17(18,19)20/h2-5,10,16,24H,6-9,11H2,1H3
InChIKeyXOWPOGWURHLQBU-UHFFFAOYSA-N
XLogP2.59
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[4-(2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[4-(2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol (CID 2738521) is 1,1,1-trifluoro-3-[4-(2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[4-(2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[4-(2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol is Cc1cc(N2CCN(CC(O)C(F)(F)F)CC2)c2ccccc2n1.
What is the InChIKey of 1,1,1-trifluoro-3-[4-(2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol?
The InChIKey is XOWPOGWURHLQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O/c1-12-10-15(13-4-2-3-5-14(13)21-12)23-8-6-22(7-9-23)11-16(24)17(18,19)20/h2-5,10,16,24H,6-9,11H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[4-(2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol?
1,1,1-trifluoro-3-[4-(2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol has a molecular weight of 339.36 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[4-(2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 2738521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).