1-[2-(4-fluorophenoxy)ethyl]-4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine

C25H24FNO2 — CID 18794477

IUPAC1-[2-(4-fluorophenoxy)ethyl]-4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine
SMILESFc1ccc(OCCN2CC=C(c3ccc(Oc4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C25H24FNO2/c26-22-8-12-23(13-9-22)28-19-18-27-16-14-21(15-17-27)20-6-10-25(11-7-20)29-24-4-2-1-3-5-24/h1-14H,15-19H2
InChIKeyPCBBJVKIXFUFSH-UHFFFAOYSA-N
MW389.47 g/mol
LogP5.79
Rot. Bonds7

About 1-[2-(4-fluorophenoxy)ethyl]-4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine

1-[2-(4-fluorophenoxy)ethyl]-4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine (PubChem CID 18794477) has the molecular formula C25H24FNO2 and a molecular weight of 389.47 g/mol. Its IUPAC name is 1-[2-(4-fluorophenoxy)ethyl]-4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[2-(4-fluorophenoxy)ethyl]-4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine
PubChem CID18794477
Molecular FormulaC25H24FNO2
Molecular Weight389.47 g/mol
Exact Mass389.18
IUPAC Name1-[2-(4-fluorophenoxy)ethyl]-4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine
SMILESFc1ccc(OCCN2CC=C(c3ccc(Oc4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C25H24FNO2/c26-22-8-12-23(13-9-22)28-19-18-27-16-14-21(15-17-27)20-6-10-25(11-7-20)29-24-4-2-1-3-5-24/h1-14H,15-19H2
InChIKeyPCBBJVKIXFUFSH-UHFFFAOYSA-N
XLogP5.79
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.47
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-ethoxy-3-[4-[2-[4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoate
CID 142687402
N,N-dimethyl-4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]benzenesulfonamide
CID 17421191
3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-phenylphenyl)propan-1-one
CID 10022988
3-[4-[4-(3-phenylpropoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propanoic acid;2,2,2-trifluoroacetic acid
CID 66853822
(3R)-3-fluoro-1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidine
CID 178065004
4-(4-fluorophenyl)-1-phenyl-3,6-dihydro-2H-pyridine
CID 22132290
4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine
CID 2845212
1-fluoro-4-(4-phenoxyphenyl)benzene
CID 163618291
(2,2,2-trifluoroacetyl) 3-[4-[4-(3-phenylpropoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propanoate
CID 87180272
ethyl 2-ethoxy-3-[4-[2-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoate
CID 142687394
1-[2-(4-fluorophenoxy)ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 67298873
1-(2-phenoxyethyl)piperidin-4-one
CID 70278679

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]-4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]-4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine (CID 18794477) is 1-[2-(4-fluorophenoxy)ethyl]-4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[2-(4-fluorophenoxy)ethyl]-4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[2-(4-fluorophenoxy)ethyl]-4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine is Fc1ccc(OCCN2CC=C(c3ccc(Oc4ccccc4)cc3)CC2)cc1.
What is the InChIKey of 1-[2-(4-fluorophenoxy)ethyl]-4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine?
The InChIKey is PCBBJVKIXFUFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FNO2/c26-22-8-12-23(13-9-22)28-19-18-27-16-14-21(15-17-27)20-6-10-25(11-7-20)29-24-4-2-1-3-5-24/h1-14H,15-19H2.
What are the key properties of 1-[2-(4-fluorophenoxy)ethyl]-4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine?
1-[2-(4-fluorophenoxy)ethyl]-4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine has a molecular weight of 389.47 g/mol, XLogP of 5.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenoxy)ethyl]-4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 18794477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).