1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol

C19H23FN2O3 — CID 46968092

IUPAC1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol
SMILESCOc1ccc(F)cc1C(O)CN1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C19H23FN2O3/c1-24-19-5-4-14(20)11-17(19)18(23)13-22-9-6-15(7-10-22)25-16-3-2-8-21-12-16/h2-5,8,11-12,15,18,23H,6-7,9-10,13H2,1H3
InChIKeyHRCRKOJFKJLCFC-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.81
Rot. Bonds6

About 1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol

1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol (PubChem CID 46968092) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol
PubChem CID46968092
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol
SMILESCOc1ccc(F)cc1C(O)CN1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C19H23FN2O3/c1-24-19-5-4-14(20)11-17(19)18(23)13-22-9-6-15(7-10-22)25-16-3-2-8-21-12-16/h2-5,8,11-12,15,18,23H,6-7,9-10,13H2,1H3
InChIKeyHRCRKOJFKJLCFC-UHFFFAOYSA-N
XLogP2.81
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol (CID 46968092) is 1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol is COc1ccc(F)cc1C(O)CN1CCC(Oc2cccnc2)CC1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol?
The InChIKey is HRCRKOJFKJLCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-24-19-5-4-14(20)11-17(19)18(23)13-22-9-6-15(7-10-22)25-16-3-2-8-21-12-16/h2-5,8,11-12,15,18,23H,6-7,9-10,13H2,1H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol?
1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol has a molecular weight of 346.40 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol is sourced from PubChem (CID 46968092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).