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

C14H18N4 — CID 67961864

IUPAC(4R)-2,4-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)[C@@H](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/t9-,11?/m1/s1
InChIKeyZXUWCECAQYDCEY-BFHBGLAWSA-N
MW242.33 g/mol
LogP1.80
Rot. Bonds1

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

(4R)-2,4-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 67961864) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is (4R)-2,4-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name(4R)-2,4-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID67961864
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name(4R)-2,4-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)[C@@H](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/t9-,11?/m1/s1
InChIKeyZXUWCECAQYDCEY-BFHBGLAWSA-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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Frequently Asked Questions

What is the IUPAC name of (4R)-2,4-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of (4R)-2,4-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3,5-dicarbonitrile (CID 67961864) is (4R)-2,4-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for (4R)-2,4-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for (4R)-2,4-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3,5-dicarbonitrile is CC1=C(C#N)[C@@H](C)C(C#N)=C(C2CCCNC2)N1.
What is the InChIKey of (4R)-2,4-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is ZXUWCECAQYDCEY-BFHBGLAWSA-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/t9-,11?/m1/s1.
What are the key properties of (4R)-2,4-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3,5-dicarbonitrile?
(4R)-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 (4R)-2,4-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 67961864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).