6-butan-2-yl-5-fluoro-3-methyl-1-(2-methylpropyl)-3,6-dihydro-2H-pyridine

C14H26FN — CID 170144576

IUPAC6-butan-2-yl-5-fluoro-3-methyl-1-(2-methylpropyl)-3,6-dihydro-2H-pyridine
SMILESCCC(C)C1C(F)=CC(C)CN1CC(C)C
InChIInChI=1S/C14H26FN/c1-6-12(5)14-13(15)7-11(4)9-16(14)8-10(2)3/h7,10-12,14H,6,8-9H2,1-5H3
InChIKeyFXLAXFJHJPHFIL-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.86
Rot. Bonds4

About 6-butan-2-yl-5-fluoro-3-methyl-1-(2-methylpropyl)-3,6-dihydro-2H-pyridine

6-butan-2-yl-5-fluoro-3-methyl-1-(2-methylpropyl)-3,6-dihydro-2H-pyridine (PubChem CID 170144576) has the molecular formula C14H26FN and a molecular weight of 227.37 g/mol. Its IUPAC name is 6-butan-2-yl-5-fluoro-3-methyl-1-(2-methylpropyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name6-butan-2-yl-5-fluoro-3-methyl-1-(2-methylpropyl)-3,6-dihydro-2H-pyridine
PubChem CID170144576
Molecular FormulaC14H26FN
Molecular Weight227.37 g/mol
Exact Mass227.20
IUPAC Name6-butan-2-yl-5-fluoro-3-methyl-1-(2-methylpropyl)-3,6-dihydro-2H-pyridine
SMILESCCC(C)C1C(F)=CC(C)CN1CC(C)C
InChIInChI=1S/C14H26FN/c1-6-12(5)14-13(15)7-11(4)9-16(14)8-10(2)3/h7,10-12,14H,6,8-9H2,1-5H3
InChIKeyFXLAXFJHJPHFIL-UHFFFAOYSA-N
XLogP3.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-5-fluoro-3-methyl-1-(2-methylpropyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 6-butan-2-yl-5-fluoro-3-methyl-1-(2-methylpropyl)-3,6-dihydro-2H-pyridine (CID 170144576) is 6-butan-2-yl-5-fluoro-3-methyl-1-(2-methylpropyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 6-butan-2-yl-5-fluoro-3-methyl-1-(2-methylpropyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 6-butan-2-yl-5-fluoro-3-methyl-1-(2-methylpropyl)-3,6-dihydro-2H-pyridine is CCC(C)C1C(F)=CC(C)CN1CC(C)C.
What is the InChIKey of 6-butan-2-yl-5-fluoro-3-methyl-1-(2-methylpropyl)-3,6-dihydro-2H-pyridine?
The InChIKey is FXLAXFJHJPHFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FN/c1-6-12(5)14-13(15)7-11(4)9-16(14)8-10(2)3/h7,10-12,14H,6,8-9H2,1-5H3.
What are the key properties of 6-butan-2-yl-5-fluoro-3-methyl-1-(2-methylpropyl)-3,6-dihydro-2H-pyridine?
6-butan-2-yl-5-fluoro-3-methyl-1-(2-methylpropyl)-3,6-dihydro-2H-pyridine has a molecular weight of 227.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-5-fluoro-3-methyl-1-(2-methylpropyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 170144576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).