3-[1-(4-fluorophenyl)butyl]-6-phenyl-3-azabicyclo[3.2.0]heptane

C22H26FN — CID 67743745

IUPAC3-[1-(4-fluorophenyl)butyl]-6-phenyl-3-azabicyclo[3.2.0]heptane
SMILESCCCC(c1ccc(F)cc1)N1CC2CC(c3ccccc3)C2C1
InChIInChI=1S/C22H26FN/c1-2-6-22(17-9-11-19(23)12-10-17)24-14-18-13-20(21(18)15-24)16-7-4-3-5-8-16/h3-5,7-12,18,20-22H,2,6,13-15H2,1H3
InChIKeyBZJPJQOYWUBJAB-UHFFFAOYSA-N
MW323.46 g/mol
LogP5.40
Rot. Bonds5

About 3-[1-(4-fluorophenyl)butyl]-6-phenyl-3-azabicyclo[3.2.0]heptane

3-[1-(4-fluorophenyl)butyl]-6-phenyl-3-azabicyclo[3.2.0]heptane (PubChem CID 67743745) has the molecular formula C22H26FN and a molecular weight of 323.46 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)butyl]-6-phenyl-3-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)butyl]-6-phenyl-3-azabicyclo[3.2.0]heptane
PubChem CID67743745
Molecular FormulaC22H26FN
Molecular Weight323.46 g/mol
Exact Mass323.20
IUPAC Name3-[1-(4-fluorophenyl)butyl]-6-phenyl-3-azabicyclo[3.2.0]heptane
SMILESCCCC(c1ccc(F)cc1)N1CC2CC(c3ccccc3)C2C1
InChIInChI=1S/C22H26FN/c1-2-6-22(17-9-11-19(23)12-10-17)24-14-18-13-20(21(18)15-24)16-7-4-3-5-8-16/h3-5,7-12,18,20-22H,2,6,13-15H2,1H3
InChIKeyBZJPJQOYWUBJAB-UHFFFAOYSA-N
XLogP5.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.46
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol
CID 70186639
(3aR,6aS)-5-[1-(4-fluorophenyl)propyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042211
4-fluoro-N-methyl-N-[2-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)ethyl]benzamide
CID 22405862
(3S,4R)-4-phenyl-1-(1-phenylpropyl)pyrrolidin-3-amine;hydrochloride
CID 120761196
3-benzyl-6-phenyl-3-azabicyclo[3.2.0]heptane
CID 19963621
(1S,5R,6S)-3-(2-chloroethyl)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane
CID 20692808
3,3-diethyl-2-[2-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]-1,2-benzothiazole
CID 142648997
1-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol
CID 22405844
1-[(1R)-1-(4-phenylphenyl)butyl]piperazine;dihydrochloride
CID 171292164
4-[6-(3-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]-1-(4-fluorophenyl)butan-1-ol
CID 22405811
1-(4-fluorophenyl)-N-methyl-1-phenylpentan-2-amine
CID 83047873
2-phenyl-N-(1-phenylbutyl)cyclopropan-1-amine
CID 63454721

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)butyl]-6-phenyl-3-azabicyclo[3.2.0]heptane?
The IUPAC name of 3-[1-(4-fluorophenyl)butyl]-6-phenyl-3-azabicyclo[3.2.0]heptane (CID 67743745) is 3-[1-(4-fluorophenyl)butyl]-6-phenyl-3-azabicyclo[3.2.0]heptane.
What is the SMILES notation for 3-[1-(4-fluorophenyl)butyl]-6-phenyl-3-azabicyclo[3.2.0]heptane?
The canonical SMILES for 3-[1-(4-fluorophenyl)butyl]-6-phenyl-3-azabicyclo[3.2.0]heptane is CCCC(c1ccc(F)cc1)N1CC2CC(c3ccccc3)C2C1.
What is the InChIKey of 3-[1-(4-fluorophenyl)butyl]-6-phenyl-3-azabicyclo[3.2.0]heptane?
The InChIKey is BZJPJQOYWUBJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN/c1-2-6-22(17-9-11-19(23)12-10-17)24-14-18-13-20(21(18)15-24)16-7-4-3-5-8-16/h3-5,7-12,18,20-22H,2,6,13-15H2,1H3.
What are the key properties of 3-[1-(4-fluorophenyl)butyl]-6-phenyl-3-azabicyclo[3.2.0]heptane?
3-[1-(4-fluorophenyl)butyl]-6-phenyl-3-azabicyclo[3.2.0]heptane has a molecular weight of 323.46 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)butyl]-6-phenyl-3-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 67743745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).