2-[1-cyclohexyl-4-[4-(4-fluoro-1-benzofuran-7-yl)piperidin-1-yl]butan-2-yl]pyridine

C28H35FN2O — CID 22961046

IUPAC2-[1-cyclohexyl-4-[4-(4-fluoro-1-benzofuran-7-yl)piperidin-1-yl]butan-2-yl]pyridine
SMILESFc1ccc(C2CCN(CCC(CC3CCCCC3)c3ccccn3)CC2)c2occc12
InChIInChI=1S/C28H35FN2O/c29-26-10-9-24(28-25(26)14-19-32-28)22-11-16-31(17-12-22)18-13-23(27-8-4-5-15-30-27)20-21-6-2-1-3-7-21/h4-5,8-10,14-15,19,21-23H,1-3,6-7,11-13,16-18,20H2
InChIKeyIWWYQJLZPNIHGC-UHFFFAOYSA-N
MW434.60 g/mol
LogP7.29
Rot. Bonds7

About 2-[1-cyclohexyl-4-[4-(4-fluoro-1-benzofuran-7-yl)piperidin-1-yl]butan-2-yl]pyridine

2-[1-cyclohexyl-4-[4-(4-fluoro-1-benzofuran-7-yl)piperidin-1-yl]butan-2-yl]pyridine (PubChem CID 22961046) has the molecular formula C28H35FN2O and a molecular weight of 434.60 g/mol. Its IUPAC name is 2-[1-cyclohexyl-4-[4-(4-fluoro-1-benzofuran-7-yl)piperidin-1-yl]butan-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-cyclohexyl-4-[4-(4-fluoro-1-benzofuran-7-yl)piperidin-1-yl]butan-2-yl]pyridine
PubChem CID22961046
Molecular FormulaC28H35FN2O
Molecular Weight434.60 g/mol
Exact Mass434.27
IUPAC Name2-[1-cyclohexyl-4-[4-(4-fluoro-1-benzofuran-7-yl)piperidin-1-yl]butan-2-yl]pyridine
SMILESFc1ccc(C2CCN(CCC(CC3CCCCC3)c3ccccn3)CC2)c2occc12
InChIInChI=1S/C28H35FN2O/c29-26-10-9-24(28-25(26)14-19-32-28)22-11-16-31(17-12-22)18-13-23(27-8-4-5-15-30-27)20-21-6-2-1-3-7-21/h4-5,8-10,14-15,19,21-23H,1-3,6-7,11-13,16-18,20H2
InChIKeyIWWYQJLZPNIHGC-UHFFFAOYSA-N
XLogP7.29
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.60
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[1-cyclohexyl-4-[4-(4-fluoro-1-benzofuran-7-yl)piperidin-1-yl]butan-2-yl]pyridine with MolForge

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Related Compounds

Pelecopan
CID 139560984
4-{[6-(2-{2-[(2R)-methylpyrrolidinyl]ethyl}-1-benzofuran-5-yl)-3-pyridinyl]carbonyl}morpholine
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(-)-Dimethyl-{2-[3-((R)-1-pyridin-2-yl-ethyl)-benzofuran-2-yl]-ethyl}-amine
CID 44247935
2-(4-Fluorophenyl)-3-(pyridin-4-yl)furan
CID 44572271
3-(Benzofuran-2-ylmethylene)anabaseine
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CID 11164277
5-fluoro-3-(1-(2-(5-fluorobenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11188108
3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-5-fluoro-1H-indole
CID 11245340
8-{4-[2-(1-Benzofuran-3-yl)ethyl]-1-piperazinyl}-6-fluoroquinoline
CID 11383270
3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11416598
3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-6-fluoro-1H-indole
CID 11428376
4-[(6-{2-[2-(4-Methyl-1-piperidinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine
CID 22274462

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclohexyl-4-[4-(4-fluoro-1-benzofuran-7-yl)piperidin-1-yl]butan-2-yl]pyridine?
The IUPAC name of 2-[1-cyclohexyl-4-[4-(4-fluoro-1-benzofuran-7-yl)piperidin-1-yl]butan-2-yl]pyridine (CID 22961046) is 2-[1-cyclohexyl-4-[4-(4-fluoro-1-benzofuran-7-yl)piperidin-1-yl]butan-2-yl]pyridine.
What is the SMILES notation for 2-[1-cyclohexyl-4-[4-(4-fluoro-1-benzofuran-7-yl)piperidin-1-yl]butan-2-yl]pyridine?
The canonical SMILES for 2-[1-cyclohexyl-4-[4-(4-fluoro-1-benzofuran-7-yl)piperidin-1-yl]butan-2-yl]pyridine is Fc1ccc(C2CCN(CCC(CC3CCCCC3)c3ccccn3)CC2)c2occc12.
What is the InChIKey of 2-[1-cyclohexyl-4-[4-(4-fluoro-1-benzofuran-7-yl)piperidin-1-yl]butan-2-yl]pyridine?
The InChIKey is IWWYQJLZPNIHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN2O/c29-26-10-9-24(28-25(26)14-19-32-28)22-11-16-31(17-12-22)18-13-23(27-8-4-5-15-30-27)20-21-6-2-1-3-7-21/h4-5,8-10,14-15,19,21-23H,1-3,6-7,11-13,16-18,20H2.
What are the key properties of 2-[1-cyclohexyl-4-[4-(4-fluoro-1-benzofuran-7-yl)piperidin-1-yl]butan-2-yl]pyridine?
2-[1-cyclohexyl-4-[4-(4-fluoro-1-benzofuran-7-yl)piperidin-1-yl]butan-2-yl]pyridine has a molecular weight of 434.60 g/mol, XLogP of 7.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclohexyl-4-[4-(4-fluoro-1-benzofuran-7-yl)piperidin-1-yl]butan-2-yl]pyridine is sourced from PubChem (CID 22961046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).