5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile

C13H19N3O — CID 115654984

IUPAC5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile
SMILESCC1CC(NCc2ccc(C#N)o2)CCN1C
InChIInChI=1S/C13H19N3O/c1-10-7-11(5-6-16(10)2)15-9-13-4-3-12(8-14)17-13/h3-4,10-11,15H,5-7,9H2,1-2H3
InChIKeyANCIQEPXQIMOJW-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.72
Rot. Bonds3

About 5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile

5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile (PubChem CID 115654984) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile
PubChem CID115654984
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile
SMILESCC1CC(NCc2ccc(C#N)o2)CCN1C
InChIInChI=1S/C13H19N3O/c1-10-7-11(5-6-16(10)2)15-9-13-4-3-12(8-14)17-13/h3-4,10-11,15H,5-7,9H2,1-2H3
InChIKeyANCIQEPXQIMOJW-UHFFFAOYSA-N
XLogP1.72
TPSA52.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]furan-2-carbonitrile
CID 115652268
5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile
CID 115651654
4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzonitrile
CID 79032302
5-[[(1-ethylpiperidin-3-yl)amino]methyl]furan-2-carbonitrile
CID 115652643
5-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carbonitrile
CID 115919748
5-[[(3-ethoxycyclobutyl)amino]methyl]furan-2-carbonitrile
CID 102610289
5-[[(3,3-dimethylcyclohexyl)amino]methyl]furan-2-carbonitrile
CID 113481560
1,2-dimethyl-N-[(2-methylphenyl)methyl]piperidin-4-amine
CID 79032126
5-[(2,2-dicyclopropylethylamino)methyl]furan-2-carbonitrile
CID 115656602
5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]furan-2-carbonitrile
CID 113243162
5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-2-carbonitrile
CID 115652912
1,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]piperidin-4-amine
CID 82836292

Frequently Asked Questions

What is the IUPAC name of 5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile (CID 115654984) is 5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile is CC1CC(NCc2ccc(C#N)o2)CCN1C.
What is the InChIKey of 5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile?
The InChIKey is ANCIQEPXQIMOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-7-11(5-6-16(10)2)15-9-13-4-3-12(8-14)17-13/h3-4,10-11,15H,5-7,9H2,1-2H3.
What are the key properties of 5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile?
5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile has a molecular weight of 233.31 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115654984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).