[6-methoxy-2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol

C18H18F6N2O2 — CID 10047013

IUPAC[6-methoxy-2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol
SMILESCOc1cc(C(F)(F)F)c2nc(C(F)(F)F)cc(C(O)C3CCCCN3)c2c1
InChIInChI=1S/C18H18F6N2O2/c1-28-9-6-10-11(16(27)13-4-2-3-5-25-13)8-14(18(22,23)24)26-15(10)12(7-9)17(19,20)21/h6-8,13,16,25,27H,2-5H2,1H3
InChIKeyGFOSNCCJLRKHLB-UHFFFAOYSA-N
MW408.34 g/mol
LogP4.46
Rot. Bonds3

About [6-methoxy-2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol

[6-methoxy-2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol (PubChem CID 10047013) has the molecular formula C18H18F6N2O2 and a molecular weight of 408.34 g/mol. Its IUPAC name is [6-methoxy-2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol.

Molecular Properties

Compound Name[6-methoxy-2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol
PubChem CID10047013
Molecular FormulaC18H18F6N2O2
Molecular Weight408.34 g/mol
Exact Mass408.13
IUPAC Name[6-methoxy-2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol
SMILESCOc1cc(C(F)(F)F)c2nc(C(F)(F)F)cc(C(O)C3CCCCN3)c2c1
InChIInChI=1S/C18H18F6N2O2/c1-28-9-6-10-11(16(27)13-4-2-3-5-25-13)8-14(18(22,23)24)26-15(10)12(7-9)17(19,20)21/h6-8,13,16,25,27H,2-5H2,1H3
InChIKeyGFOSNCCJLRKHLB-UHFFFAOYSA-N
XLogP4.46
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.34
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-methoxy-2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol?
The IUPAC name of [6-methoxy-2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol (CID 10047013) is [6-methoxy-2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol.
What is the SMILES notation for [6-methoxy-2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol?
The canonical SMILES for [6-methoxy-2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol is COc1cc(C(F)(F)F)c2nc(C(F)(F)F)cc(C(O)C3CCCCN3)c2c1.
What is the InChIKey of [6-methoxy-2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol?
The InChIKey is GFOSNCCJLRKHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F6N2O2/c1-28-9-6-10-11(16(27)13-4-2-3-5-25-13)8-14(18(22,23)24)26-15(10)12(7-9)17(19,20)21/h6-8,13,16,25,27H,2-5H2,1H3.
What are the key properties of [6-methoxy-2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol?
[6-methoxy-2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol has a molecular weight of 408.34 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol is sourced from PubChem (CID 10047013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).