[3-fluoro-2-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]methanol

C20H22FNO — CID 174427598

IUPAC[3-fluoro-2-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]methanol
SMILESOCc1cccc(F)c1C1=CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H22FNO/c21-19-8-4-7-18(15-23)20(19)17-10-13-22(14-11-17)12-9-16-5-2-1-3-6-16/h1-8,10,23H,9,11-15H2
InChIKeyXLIAVMUATLAXQO-UHFFFAOYSA-N
MW311.40 g/mol
LogP3.65
Rot. Bonds5

About [3-fluoro-2-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]methanol

[3-fluoro-2-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]methanol (PubChem CID 174427598) has the molecular formula C20H22FNO and a molecular weight of 311.40 g/mol. Its IUPAC name is [3-fluoro-2-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-2-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]methanol
PubChem CID174427598
Molecular FormulaC20H22FNO
Molecular Weight311.40 g/mol
Exact Mass311.17
IUPAC Name[3-fluoro-2-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]methanol
SMILESOCc1cccc(F)c1C1=CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H22FNO/c21-19-8-4-7-18(15-23)20(19)17-10-13-22(14-11-17)12-9-16-5-2-1-3-6-16/h1-8,10,23H,9,11-15H2
InChIKeyXLIAVMUATLAXQO-UHFFFAOYSA-N
XLogP3.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]methanol?
The IUPAC name of [3-fluoro-2-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]methanol (CID 174427598) is [3-fluoro-2-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]methanol.
What is the SMILES notation for [3-fluoro-2-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]methanol?
The canonical SMILES for [3-fluoro-2-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]methanol is OCc1cccc(F)c1C1=CCN(CCc2ccccc2)CC1.
What is the InChIKey of [3-fluoro-2-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]methanol?
The InChIKey is XLIAVMUATLAXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO/c21-19-8-4-7-18(15-23)20(19)17-10-13-22(14-11-17)12-9-16-5-2-1-3-6-16/h1-8,10,23H,9,11-15H2.
What are the key properties of [3-fluoro-2-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]methanol?
[3-fluoro-2-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]methanol has a molecular weight of 311.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]methanol is sourced from PubChem (CID 174427598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).