1-benzyl-5-(3-fluorophenyl)-3,6-dihydro-2H-pyridine

C18H18FN — CID 19095580

IUPAC1-benzyl-5-(3-fluorophenyl)-3,6-dihydro-2H-pyridine
SMILESFc1cccc(C2=CCCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C18H18FN/c19-18-10-4-8-16(12-18)17-9-5-11-20(14-17)13-15-6-2-1-3-7-15/h1-4,6-10,12H,5,11,13-14H2
InChIKeyYPKNSIZOYBNSTB-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.11
Rot. Bonds3

About 1-benzyl-5-(3-fluorophenyl)-3,6-dihydro-2H-pyridine

1-benzyl-5-(3-fluorophenyl)-3,6-dihydro-2H-pyridine (PubChem CID 19095580) has the molecular formula C18H18FN and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-benzyl-5-(3-fluorophenyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-benzyl-5-(3-fluorophenyl)-3,6-dihydro-2H-pyridine
PubChem CID19095580
Molecular FormulaC18H18FN
Molecular Weight267.35 g/mol
Exact Mass267.14
IUPAC Name1-benzyl-5-(3-fluorophenyl)-3,6-dihydro-2H-pyridine
SMILESFc1cccc(C2=CCCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C18H18FN/c19-18-10-4-8-16(12-18)17-9-5-11-20(14-17)13-15-6-2-1-3-7-15/h1-4,6-10,12H,5,11,13-14H2
InChIKeyYPKNSIZOYBNSTB-UHFFFAOYSA-N
XLogP4.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-5-(4-chlorophenyl)-3,6-dihydro-2H-pyridine
CID 141269608
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)phenol;(E)-4-methoxy-4-oxobut-2-enoate
CID 20502636
1-benzyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine
CID 117205582
3-chloro-6-[5-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine
CID 19095525
1-benzyl-5-[(4-fluoro-2-methylphenoxy)methyl]-3,6-dihydro-2H-pyridine
CID 139679454
2-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)indole-1-carboxylic acid
CID 118111849
3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-chloro-1H-indole
CID 168941755
5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-phenylpyrimidine
CID 56909083
3-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)phenol
CID 3068138
(3E)-1-benzyl-3-[(3-fluorophenyl)methylidene]piperidin-4-one
CID 110538840
8-benzyl-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171973239

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(3-fluorophenyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-benzyl-5-(3-fluorophenyl)-3,6-dihydro-2H-pyridine (CID 19095580) is 1-benzyl-5-(3-fluorophenyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-benzyl-5-(3-fluorophenyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-benzyl-5-(3-fluorophenyl)-3,6-dihydro-2H-pyridine is Fc1cccc(C2=CCCN(Cc3ccccc3)C2)c1.
What is the InChIKey of 1-benzyl-5-(3-fluorophenyl)-3,6-dihydro-2H-pyridine?
The InChIKey is YPKNSIZOYBNSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN/c19-18-10-4-8-16(12-18)17-9-5-11-20(14-17)13-15-6-2-1-3-7-15/h1-4,6-10,12H,5,11,13-14H2.
What are the key properties of 1-benzyl-5-(3-fluorophenyl)-3,6-dihydro-2H-pyridine?
1-benzyl-5-(3-fluorophenyl)-3,6-dihydro-2H-pyridine has a molecular weight of 267.35 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(3-fluorophenyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 19095580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).