1-[7-fluoro-2-(4-fluorophenyl)quinolin-4-yl]-2-piperidin-1-ylethanol

C22H22F2N2O — CID 90669181

IUPAC1-[7-fluoro-2-(4-fluorophenyl)quinolin-4-yl]-2-piperidin-1-ylethanol
SMILESOC(CN1CCCCC1)c1cc(-c2ccc(F)cc2)nc2cc(F)ccc12
InChIInChI=1S/C22H22F2N2O/c23-16-6-4-15(5-7-16)20-13-19(18-9-8-17(24)12-21(18)25-20)22(27)14-26-10-2-1-3-11-26/h4-9,12-13,22,27H,1-3,10-11,14H2
InChIKeyBUGIPFYBCXVFHS-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.70
Rot. Bonds4

About 1-[7-fluoro-2-(4-fluorophenyl)quinolin-4-yl]-2-piperidin-1-ylethanol

1-[7-fluoro-2-(4-fluorophenyl)quinolin-4-yl]-2-piperidin-1-ylethanol (PubChem CID 90669181) has the molecular formula C22H22F2N2O and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-[7-fluoro-2-(4-fluorophenyl)quinolin-4-yl]-2-piperidin-1-ylethanol.

Molecular Properties

Compound Name1-[7-fluoro-2-(4-fluorophenyl)quinolin-4-yl]-2-piperidin-1-ylethanol
PubChem CID90669181
Molecular FormulaC22H22F2N2O
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name1-[7-fluoro-2-(4-fluorophenyl)quinolin-4-yl]-2-piperidin-1-ylethanol
SMILESOC(CN1CCCCC1)c1cc(-c2ccc(F)cc2)nc2cc(F)ccc12
InChIInChI=1S/C22H22F2N2O/c23-16-6-4-15(5-7-16)20-13-19(18-9-8-17(24)12-21(18)25-20)22(27)14-26-10-2-1-3-11-26/h4-9,12-13,22,27H,1-3,10-11,14H2
InChIKeyBUGIPFYBCXVFHS-UHFFFAOYSA-N
XLogP4.70
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[7-fluoro-2-(4-fluorophenyl)quinolin-4-yl]-2-piperidin-1-ylethanol?
The IUPAC name of 1-[7-fluoro-2-(4-fluorophenyl)quinolin-4-yl]-2-piperidin-1-ylethanol (CID 90669181) is 1-[7-fluoro-2-(4-fluorophenyl)quinolin-4-yl]-2-piperidin-1-ylethanol.
What is the SMILES notation for 1-[7-fluoro-2-(4-fluorophenyl)quinolin-4-yl]-2-piperidin-1-ylethanol?
The canonical SMILES for 1-[7-fluoro-2-(4-fluorophenyl)quinolin-4-yl]-2-piperidin-1-ylethanol is OC(CN1CCCCC1)c1cc(-c2ccc(F)cc2)nc2cc(F)ccc12.
What is the InChIKey of 1-[7-fluoro-2-(4-fluorophenyl)quinolin-4-yl]-2-piperidin-1-ylethanol?
The InChIKey is BUGIPFYBCXVFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O/c23-16-6-4-15(5-7-16)20-13-19(18-9-8-17(24)12-21(18)25-20)22(27)14-26-10-2-1-3-11-26/h4-9,12-13,22,27H,1-3,10-11,14H2.
What are the key properties of 1-[7-fluoro-2-(4-fluorophenyl)quinolin-4-yl]-2-piperidin-1-ylethanol?
1-[7-fluoro-2-(4-fluorophenyl)quinolin-4-yl]-2-piperidin-1-ylethanol has a molecular weight of 368.43 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-fluoro-2-(4-fluorophenyl)quinolin-4-yl]-2-piperidin-1-ylethanol is sourced from PubChem (CID 90669181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).