4-methyl-3-[(1-methylpiperidin-4-yl)amino]benzonitrile

C14H19N3 — CID 62105197

IUPAC4-methyl-3-[(1-methylpiperidin-4-yl)amino]benzonitrile
SMILESCc1ccc(C#N)cc1NC1CCN(C)CC1
InChIInChI=1S/C14H19N3/c1-11-3-4-12(10-15)9-14(11)16-13-5-7-17(2)8-6-13/h3-4,9,13,16H,5-8H2,1-2H3
InChIKeyZXRHGIANGMKSEW-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.37
Rot. Bonds2

About 4-methyl-3-[(1-methylpiperidin-4-yl)amino]benzonitrile

4-methyl-3-[(1-methylpiperidin-4-yl)amino]benzonitrile (PubChem CID 62105197) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-methyl-3-[(1-methylpiperidin-4-yl)amino]benzonitrile.

Molecular Properties

Compound Name4-methyl-3-[(1-methylpiperidin-4-yl)amino]benzonitrile
PubChem CID62105197
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-methyl-3-[(1-methylpiperidin-4-yl)amino]benzonitrile
SMILESCc1ccc(C#N)cc1NC1CCN(C)CC1
InChIInChI=1S/C14H19N3/c1-11-3-4-12(10-15)9-14(11)16-13-5-7-17(2)8-6-13/h3-4,9,13,16H,5-8H2,1-2H3
InChIKeyZXRHGIANGMKSEW-UHFFFAOYSA-N
XLogP2.37
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(1-methylpiperidin-4-yl)amino]benzonitrile?
The IUPAC name of 4-methyl-3-[(1-methylpiperidin-4-yl)amino]benzonitrile (CID 62105197) is 4-methyl-3-[(1-methylpiperidin-4-yl)amino]benzonitrile.
What is the SMILES notation for 4-methyl-3-[(1-methylpiperidin-4-yl)amino]benzonitrile?
The canonical SMILES for 4-methyl-3-[(1-methylpiperidin-4-yl)amino]benzonitrile is Cc1ccc(C#N)cc1NC1CCN(C)CC1.
What is the InChIKey of 4-methyl-3-[(1-methylpiperidin-4-yl)amino]benzonitrile?
The InChIKey is ZXRHGIANGMKSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-3-4-12(10-15)9-14(11)16-13-5-7-17(2)8-6-13/h3-4,9,13,16H,5-8H2,1-2H3.
What are the key properties of 4-methyl-3-[(1-methylpiperidin-4-yl)amino]benzonitrile?
4-methyl-3-[(1-methylpiperidin-4-yl)amino]benzonitrile has a molecular weight of 229.33 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(1-methylpiperidin-4-yl)amino]benzonitrile is sourced from PubChem (CID 62105197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).