6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile

C13H18N4 — CID 43430337

IUPAC6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
SMILESCN(C)C1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C13H18N4/c1-16(2)12-5-7-17(8-6-12)13-4-3-11(9-14)10-15-13/h3-4,10,12H,5-8H2,1-2H3
InChIKeyFKEYFOGNKOXWFA-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.48
Rot. Bonds2

About 6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile

6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 43430337) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID43430337
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
SMILESCN(C)C1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C13H18N4/c1-16(2)12-5-7-17(8-6-12)13-4-3-11(9-14)10-15-13/h3-4,10,12H,5-8H2,1-2H3
InChIKeyFKEYFOGNKOXWFA-UHFFFAOYSA-N
XLogP1.48
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile (CID 43430337) is 6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile is CN(C)C1CCN(c2ccc(C#N)cn2)CC1.
What is the InChIKey of 6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is FKEYFOGNKOXWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-16(2)12-5-7-17(8-6-12)13-4-3-11(9-14)10-15-13/h3-4,10,12H,5-8H2,1-2H3.
What are the key properties of 6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile?
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 43430337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).