1-[6-methoxy-2-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol

C18H21F3N2O2 — CID 90669107

IUPAC1-[6-methoxy-2-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol
SMILESCOc1ccc2nc(C(F)(F)F)cc(C(O)CC3CCCCN3)c2c1
InChIInChI=1S/C18H21F3N2O2/c1-25-12-5-6-15-13(9-12)14(10-17(23-15)18(19,20)21)16(24)8-11-4-2-3-7-22-11/h5-6,9-11,16,22,24H,2-4,7-8H2,1H3
InChIKeyJBOMJJNUUWGZGW-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.83
Rot. Bonds4

About 1-[6-methoxy-2-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol

1-[6-methoxy-2-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol (PubChem CID 90669107) has the molecular formula C18H21F3N2O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 1-[6-methoxy-2-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol.

Molecular Properties

Compound Name1-[6-methoxy-2-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol
PubChem CID90669107
Molecular FormulaC18H21F3N2O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC Name1-[6-methoxy-2-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol
SMILESCOc1ccc2nc(C(F)(F)F)cc(C(O)CC3CCCCN3)c2c1
InChIInChI=1S/C18H21F3N2O2/c1-25-12-5-6-15-13(9-12)14(10-17(23-15)18(19,20)21)16(24)8-11-4-2-3-7-22-11/h5-6,9-11,16,22,24H,2-4,7-8H2,1H3
InChIKeyJBOMJJNUUWGZGW-UHFFFAOYSA-N
XLogP3.83
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-methoxy-2-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol?
The IUPAC name of 1-[6-methoxy-2-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol (CID 90669107) is 1-[6-methoxy-2-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol.
What is the SMILES notation for 1-[6-methoxy-2-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol?
The canonical SMILES for 1-[6-methoxy-2-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol is COc1ccc2nc(C(F)(F)F)cc(C(O)CC3CCCCN3)c2c1.
What is the InChIKey of 1-[6-methoxy-2-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol?
The InChIKey is JBOMJJNUUWGZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O2/c1-25-12-5-6-15-13(9-12)14(10-17(23-15)18(19,20)21)16(24)8-11-4-2-3-7-22-11/h5-6,9-11,16,22,24H,2-4,7-8H2,1H3.
What are the key properties of 1-[6-methoxy-2-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol?
1-[6-methoxy-2-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol has a molecular weight of 354.37 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methoxy-2-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol is sourced from PubChem (CID 90669107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).