1-benzyl-4-(2-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine

C19H20FNO — CID 67065996

IUPAC1-benzyl-4-(2-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine
SMILESCOc1ccc(C2=CCN(Cc3ccccc3)CC2)c(F)c1
InChIInChI=1S/C19H20FNO/c1-22-17-7-8-18(19(20)13-17)16-9-11-21(12-10-16)14-15-5-3-2-4-6-15/h2-9,13H,10-12,14H2,1H3
InChIKeyANPYVGCYOCPBKJ-UHFFFAOYSA-N
MW297.37 g/mol
LogP4.12
Rot. Bonds4

About 1-benzyl-4-(2-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine

1-benzyl-4-(2-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine (PubChem CID 67065996) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is 1-benzyl-4-(2-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-benzyl-4-(2-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine
PubChem CID67065996
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name1-benzyl-4-(2-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine
SMILESCOc1ccc(C2=CCN(Cc3ccccc3)CC2)c(F)c1
InChIInChI=1S/C19H20FNO/c1-22-17-7-8-18(19(20)13-17)16-9-11-21(12-10-16)14-15-5-3-2-4-6-15/h2-9,13H,10-12,14H2,1H3
InChIKeyANPYVGCYOCPBKJ-UHFFFAOYSA-N
XLogP4.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine
CID 2845212
3-[4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3-fluorophenyl]-2-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde
CID 174428794
9-benzyl-7-(2-fluoro-4-methoxyphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171971074
1-benzyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine
CID 1376754
6-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-bis(4-methoxyphenyl)pyridine
CID 10367883
1-benzyl-4-[2-(3-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine
CID 67583435
1-benzyl-4-[(2-bromo-5-methoxyphenoxy)methyl]-3,6-dihydro-2H-pyridine
CID 66652851
(5R)-3-[4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 21356664
2-[(4-benzylpiperazin-1-yl)methyl]-5-methoxyphenol
CID 783532
1-benzyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine
CID 59628497
1-[(3-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine
CID 15818890
12-benzyl-4-(2-fluoro-4-methoxyphenyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 11761265

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-benzyl-4-(2-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine (CID 67065996) is 1-benzyl-4-(2-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-benzyl-4-(2-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-benzyl-4-(2-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine is COc1ccc(C2=CCN(Cc3ccccc3)CC2)c(F)c1.
What is the InChIKey of 1-benzyl-4-(2-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine?
The InChIKey is ANPYVGCYOCPBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c1-22-17-7-8-18(19(20)13-17)16-9-11-21(12-10-16)14-15-5-3-2-4-6-15/h2-9,13H,10-12,14H2,1H3.
What are the key properties of 1-benzyl-4-(2-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine?
1-benzyl-4-(2-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine has a molecular weight of 297.37 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 67065996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).