1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-1-piperidin-2-ylpentan-1-ol

C21H24F6N2O — CID 58937931

IUPAC1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-1-piperidin-2-ylpentan-1-ol
SMILESCCCCC(O)(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1
InChIInChI=1S/C21H24F6N2O/c1-2-3-10-19(30,16-9-4-5-11-28-16)15-12-17(21(25,26)27)29-18-13(15)7-6-8-14(18)20(22,23)24/h6-8,12,16,28,30H,2-5,9-11H2,1H3
InChIKeySYIWYBMCRYBETB-UHFFFAOYSA-N
MW434.42 g/mol
LogP5.79
Rot. Bonds5

About 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-1-piperidin-2-ylpentan-1-ol

1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-1-piperidin-2-ylpentan-1-ol (PubChem CID 58937931) has the molecular formula C21H24F6N2O and a molecular weight of 434.42 g/mol. Its IUPAC name is 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-1-piperidin-2-ylpentan-1-ol.

Molecular Properties

Compound Name1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-1-piperidin-2-ylpentan-1-ol
PubChem CID58937931
Molecular FormulaC21H24F6N2O
Molecular Weight434.42 g/mol
Exact Mass434.18
IUPAC Name1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-1-piperidin-2-ylpentan-1-ol
SMILESCCCCC(O)(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1
InChIInChI=1S/C21H24F6N2O/c1-2-3-10-19(30,16-9-4-5-11-28-16)15-12-17(21(25,26)27)29-18-13(15)7-6-8-14(18)20(22,23)24/h6-8,12,16,28,30H,2-5,9-11H2,1H3
InChIKeySYIWYBMCRYBETB-UHFFFAOYSA-N
XLogP5.79
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.42
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-1-piperidin-2-ylpentan-1-ol?
The IUPAC name of 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-1-piperidin-2-ylpentan-1-ol (CID 58937931) is 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-1-piperidin-2-ylpentan-1-ol.
What is the SMILES notation for 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-1-piperidin-2-ylpentan-1-ol?
The canonical SMILES for 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-1-piperidin-2-ylpentan-1-ol is CCCCC(O)(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1.
What is the InChIKey of 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-1-piperidin-2-ylpentan-1-ol?
The InChIKey is SYIWYBMCRYBETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F6N2O/c1-2-3-10-19(30,16-9-4-5-11-28-16)15-12-17(21(25,26)27)29-18-13(15)7-6-8-14(18)20(22,23)24/h6-8,12,16,28,30H,2-5,9-11H2,1H3.
What are the key properties of 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-1-piperidin-2-ylpentan-1-ol?
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-1-piperidin-2-ylpentan-1-ol has a molecular weight of 434.42 g/mol, XLogP of 5.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-1-piperidin-2-ylpentan-1-ol is sourced from PubChem (CID 58937931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).