4-fluoro-1-methyl-3-(2-methylpropyl)-3,6-dihydro-2H-pyridine

C10H18FN — CID 178009595

IUPAC4-fluoro-1-methyl-3-(2-methylpropyl)-3,6-dihydro-2H-pyridine
SMILESCC(C)CC1CN(C)CC=C1F
InChIInChI=1S/C10H18FN/c1-8(2)6-9-7-12(3)5-4-10(9)11/h4,8-9H,5-7H2,1-3H3
InChIKeyMBXVXYKBYLAKJN-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.45
Rot. Bonds2

About 4-fluoro-1-methyl-3-(2-methylpropyl)-3,6-dihydro-2H-pyridine

4-fluoro-1-methyl-3-(2-methylpropyl)-3,6-dihydro-2H-pyridine (PubChem CID 178009595) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 4-fluoro-1-methyl-3-(2-methylpropyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-fluoro-1-methyl-3-(2-methylpropyl)-3,6-dihydro-2H-pyridine
PubChem CID178009595
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name4-fluoro-1-methyl-3-(2-methylpropyl)-3,6-dihydro-2H-pyridine
SMILESCC(C)CC1CN(C)CC=C1F
InChIInChI=1S/C10H18FN/c1-8(2)6-9-7-12(3)5-4-10(9)11/h4,8-9H,5-7H2,1-3H3
InChIKeyMBXVXYKBYLAKJN-UHFFFAOYSA-N
XLogP2.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-3-(2-methylpropyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-fluoro-1-methyl-3-(2-methylpropyl)-3,6-dihydro-2H-pyridine (CID 178009595) is 4-fluoro-1-methyl-3-(2-methylpropyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-fluoro-1-methyl-3-(2-methylpropyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-fluoro-1-methyl-3-(2-methylpropyl)-3,6-dihydro-2H-pyridine is CC(C)CC1CN(C)CC=C1F.
What is the InChIKey of 4-fluoro-1-methyl-3-(2-methylpropyl)-3,6-dihydro-2H-pyridine?
The InChIKey is MBXVXYKBYLAKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-8(2)6-9-7-12(3)5-4-10(9)11/h4,8-9H,5-7H2,1-3H3.
What are the key properties of 4-fluoro-1-methyl-3-(2-methylpropyl)-3,6-dihydro-2H-pyridine?
4-fluoro-1-methyl-3-(2-methylpropyl)-3,6-dihydro-2H-pyridine has a molecular weight of 171.26 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-3-(2-methylpropyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 178009595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).