1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-fluorophenyl)ethanol

C20H22FNO — CID 21403014

IUPAC1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-fluorophenyl)ethanol
SMILESCC(O)(C1=CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H22FNO/c1-20(23,17-7-9-19(21)10-8-17)18-11-13-22(14-12-18)15-16-5-3-2-4-6-16/h2-11,23H,12-15H2,1H3
InChIKeySOSQLOCAHBAWPU-UHFFFAOYSA-N
MW311.40 g/mol
LogP3.87
Rot. Bonds4

About 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-fluorophenyl)ethanol

1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-fluorophenyl)ethanol (PubChem CID 21403014) has the molecular formula C20H22FNO and a molecular weight of 311.40 g/mol. Its IUPAC name is 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-fluorophenyl)ethanol
PubChem CID21403014
Molecular FormulaC20H22FNO
Molecular Weight311.40 g/mol
Exact Mass311.17
IUPAC Name1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-fluorophenyl)ethanol
SMILESCC(O)(C1=CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H22FNO/c1-20(23,17-7-9-19(21)10-8-17)18-11-13-22(14-12-18)15-16-5-3-2-4-6-16/h2-11,23H,12-15H2,1H3
InChIKeySOSQLOCAHBAWPU-UHFFFAOYSA-N
XLogP3.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-4-[2-(4-fluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine
CID 54324538
1-[(4-fluorophenyl)methyl]-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine
CID 67583405
1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol
CID 19900296
2-(4-fluorophenyl)-4-phenylbutan-2-ol
CID 54919518
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol;ethane
CID 143581792
2-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethanol
CID 10911514
tert-butyl 2-[[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3-methylbutyl]-methylamino]acetate
CID 90703669
4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol
CID 6456261
(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
CID 10330491
[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-diphenylmethanol
CID 4678685
1-benzyl-4-(4-fluorophenyl)-2,6-dihydropyridin-3-one
CID 101414861
ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 787906

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-fluorophenyl)ethanol?
The IUPAC name of 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-fluorophenyl)ethanol (CID 21403014) is 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-fluorophenyl)ethanol is CC(O)(C1=CCN(Cc2ccccc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-fluorophenyl)ethanol?
The InChIKey is SOSQLOCAHBAWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO/c1-20(23,17-7-9-19(21)10-8-17)18-11-13-22(14-12-18)15-16-5-3-2-4-6-16/h2-11,23H,12-15H2,1H3.
What are the key properties of 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-fluorophenyl)ethanol?
1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-fluorophenyl)ethanol has a molecular weight of 311.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 21403014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).