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

C14H18N4 — CID 77439162

IUPAC2,4-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(C)C(C#N)=C(C2CCCNC2)N1
InChIInChI=1S/C14H18N4/c1-9-12(6-15)10(2)18-14(13(9)7-16)11-4-3-5-17-8-11/h9,11,17-18H,3-5,8H2,1-2H3
InChIKeyZXUWCECAQYDCEY-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.80
Rot. Bonds1

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

2,4-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 77439162) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2,4-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,4-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID77439162
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2,4-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(C)C(C#N)=C(C2CCCNC2)N1
InChIInChI=1S/C14H18N4/c1-9-12(6-15)10(2)18-14(13(9)7-16)11-4-3-5-17-8-11/h9,11,17-18H,3-5,8H2,1-2H3
InChIKeyZXUWCECAQYDCEY-UHFFFAOYSA-N
XLogP1.80
TPSA71.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Cyanopiperidin-2-ylidene)malononitrile
CID 129875946
2,4,9-Trimethyl-3,9-diazaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
CID 280701
2,4,9-Trimethyl-3,9-diazaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile;hydrochloride
CID 24191767
(4R)-5-isocyano-2,4-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3-carbonitrile
CID 59763287
(4R)-2,4-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 67961864
(4R)-2-(2-aminoethyl)-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 67961871
2,5-Dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3-carbonitrile
CID 71003070
4-Iodo-2-methyl-6-piperidin-3-yl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 89263800
(4R)-5-isocyano-2,4-dimethyl-6-piperidin-3-yl-3,4-dihydropyridine-3-carbonitrile
CID 91386106
2-[(E)-2-amino-1-cyano-3-methylbut-1-enyl]-4-methyl-6-propan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile
CID 169182996
(E)-3-amino-2-(5-isocyano-4-methyl-6-propan-2-yl-1,2,3,4-tetrahydropyridin-2-yl)-4-methylpent-2-enenitrile
CID 176779972
6-Butan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile
CID 12868369

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2,4-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3,5-dicarbonitrile (CID 77439162) is 2,4-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,4-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,4-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3,5-dicarbonitrile is CC1=C(C#N)C(C)C(C#N)=C(C2CCCNC2)N1.
What is the InChIKey of 2,4-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is ZXUWCECAQYDCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-9-12(6-15)10(2)18-14(13(9)7-16)11-4-3-5-17-8-11/h9,11,17-18H,3-5,8H2,1-2H3.
What are the key properties of 2,4-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3,5-dicarbonitrile?
2,4-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 242.33 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 77439162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).