2,5-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3-carbonitrile

C13H19N3 — CID 71003070

IUPAC2,5-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3-carbonitrile
SMILESCC1=C(C2CCCNC2)NC(C)=C(C#N)C1
InChIInChI=1S/C13H19N3/c1-9-6-12(7-14)10(2)16-13(9)11-4-3-5-15-8-11/h11,15-16H,3-6,8H2,1-2H3
InChIKeyQWSGXNYKKZQRMS-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.05
Rot. Bonds1

About 2,5-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3-carbonitrile

2,5-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3-carbonitrile (PubChem CID 71003070) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2,5-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3-carbonitrile.

Molecular Properties

Compound Name2,5-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3-carbonitrile
PubChem CID71003070
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2,5-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3-carbonitrile
SMILESCC1=C(C2CCCNC2)NC(C)=C(C#N)C1
InChIInChI=1S/C13H19N3/c1-9-6-12(7-14)10(2)16-13(9)11-4-3-5-15-8-11/h11,15-16H,3-6,8H2,1-2H3
InChIKeyQWSGXNYKKZQRMS-UHFFFAOYSA-N
XLogP2.05
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3-carbonitrile?
The IUPAC name of 2,5-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3-carbonitrile (CID 71003070) is 2,5-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3-carbonitrile.
What is the SMILES notation for 2,5-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3-carbonitrile?
The canonical SMILES for 2,5-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3-carbonitrile is CC1=C(C2CCCNC2)NC(C)=C(C#N)C1.
What is the InChIKey of 2,5-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3-carbonitrile?
The InChIKey is QWSGXNYKKZQRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-9-6-12(7-14)10(2)16-13(9)11-4-3-5-15-8-11/h11,15-16H,3-6,8H2,1-2H3.
What are the key properties of 2,5-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3-carbonitrile?
2,5-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3-carbonitrile has a molecular weight of 217.32 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3-carbonitrile is sourced from PubChem (CID 71003070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).