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

C14H26N2 — CID 178001646

IUPAC6-(4-ethylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine;methane
SMILESC.CCC1CCN(C2=CCC(C)C=N2)CC1
InChIInChI=1S/C13H22N2.CH4/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;1H4
InChIKeyUCOUPDBJCAXTHE-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.70
Rot. Bonds2

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

6-(4-ethylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine;methane (PubChem CID 178001646) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 6-(4-ethylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine;methane.

Molecular Properties

Compound Name6-(4-ethylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine;methane
PubChem CID178001646
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name6-(4-ethylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine;methane
SMILESC.CCC1CCN(C2=CCC(C)C=N2)CC1
InChIInChI=1S/C13H22N2.CH4/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;1H4
InChIKeyUCOUPDBJCAXTHE-UHFFFAOYSA-N
XLogP3.70
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.70
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;methane?
The IUPAC name of 6-(4-ethylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine;methane (CID 178001646) is 6-(4-ethylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine;methane.
What is the SMILES notation for 6-(4-ethylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine;methane?
The canonical SMILES for 6-(4-ethylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine;methane is C.CCC1CCN(C2=CCC(C)C=N2)CC1.
What is the InChIKey of 6-(4-ethylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine;methane?
The InChIKey is UCOUPDBJCAXTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.CH4/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;1H4.
What are the key properties of 6-(4-ethylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine;methane?
6-(4-ethylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine;methane has a molecular weight of 222.38 g/mol, XLogP of 3.70, 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;methane is sourced from PubChem (CID 178001646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).