1-(3-ethylheptyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine

C20H30FN — CID 143598586

IUPAC1-(3-ethylheptyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
SMILESCCCCC(CC)CCN1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H30FN/c1-3-5-6-17(4-2)11-14-22-15-12-19(13-16-22)18-7-9-20(21)10-8-18/h7-10,12,17H,3-6,11,13-16H2,1-2H3
InChIKeyVLVRZUBVPDPIER-UHFFFAOYSA-N
MW303.46 g/mol
LogP5.52
Rot. Bonds8

About 1-(3-ethylheptyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine

1-(3-ethylheptyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine (PubChem CID 143598586) has the molecular formula C20H30FN and a molecular weight of 303.46 g/mol. Its IUPAC name is 1-(3-ethylheptyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(3-ethylheptyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
PubChem CID143598586
Molecular FormulaC20H30FN
Molecular Weight303.46 g/mol
Exact Mass303.24
IUPAC Name1-(3-ethylheptyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
SMILESCCCCC(CC)CCN1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H30FN/c1-3-5-6-17(4-2)11-14-22-15-12-19(13-16-22)18-7-9-20(21)10-8-18/h7-10,12,17H,3-6,11,13-16H2,1-2H3
InChIKeyVLVRZUBVPDPIER-UHFFFAOYSA-N
XLogP5.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.46
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylheptyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(3-ethylheptyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine (CID 143598586) is 1-(3-ethylheptyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(3-ethylheptyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(3-ethylheptyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine is CCCCC(CC)CCN1CC=C(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(3-ethylheptyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine?
The InChIKey is VLVRZUBVPDPIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN/c1-3-5-6-17(4-2)11-14-22-15-12-19(13-16-22)18-7-9-20(21)10-8-18/h7-10,12,17H,3-6,11,13-16H2,1-2H3.
What are the key properties of 1-(3-ethylheptyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine?
1-(3-ethylheptyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine has a molecular weight of 303.46 g/mol, XLogP of 5.52, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylheptyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 143598586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).