6-(4-ethylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine

C13H22N2 — CID 178001647

IUPAC6-(4-ethylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine
SMILESCCC1CCN(C2=CCC(C)C=N2)CC1
InChIInChI=1S/C13H22N2/c1-3-12-6-8-15(9-7-12)13-5-4-11(2)10-14-13/h5,10-12H,3-4,6-9H2,1-2H3
InChIKeyOXENKSGNNVRUFI-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.06
Rot. Bonds2

About 6-(4-ethylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine

6-(4-ethylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine (PubChem CID 178001647) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 6-(4-ethylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name6-(4-ethylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine
PubChem CID178001647
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name6-(4-ethylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine
SMILESCCC1CCN(C2=CCC(C)C=N2)CC1
InChIInChI=1S/C13H22N2/c1-3-12-6-8-15(9-7-12)13-5-4-11(2)10-14-13/h5,10-12H,3-4,6-9H2,1-2H3
InChIKeyOXENKSGNNVRUFI-UHFFFAOYSA-N
XLogP3.06
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine?
The IUPAC name of 6-(4-ethylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine (CID 178001647) is 6-(4-ethylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine.
What is the SMILES notation for 6-(4-ethylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine?
The canonical SMILES for 6-(4-ethylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine is CCC1CCN(C2=CCC(C)C=N2)CC1.
What is the InChIKey of 6-(4-ethylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine?
The InChIKey is OXENKSGNNVRUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-12-6-8-15(9-7-12)13-5-4-11(2)10-14-13/h5,10-12H,3-4,6-9H2,1-2H3.
What are the key properties of 6-(4-ethylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine?
6-(4-ethylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine has a molecular weight of 206.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine is sourced from PubChem (CID 178001647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).