3-[2-(aminomethyl)-4-methylpiperidin-1-yl]benzonitrile

C14H19N3 — CID 103442333

IUPAC3-[2-(aminomethyl)-4-methylpiperidin-1-yl]benzonitrile
SMILESCC1CCN(c2cccc(C#N)c2)C(CN)C1
InChIInChI=1S/C14H19N3/c1-11-5-6-17(14(7-11)10-16)13-4-2-3-12(8-13)9-15/h2-4,8,11,14H,5-7,10,16H2,1H3
InChIKeyUZWVTVAYLBTAEH-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.12
Rot. Bonds2

About 3-[2-(aminomethyl)-4-methylpiperidin-1-yl]benzonitrile

3-[2-(aminomethyl)-4-methylpiperidin-1-yl]benzonitrile (PubChem CID 103442333) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-4-methylpiperidin-1-yl]benzonitrile.

Molecular Properties

Compound Name3-[2-(aminomethyl)-4-methylpiperidin-1-yl]benzonitrile
PubChem CID103442333
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-[2-(aminomethyl)-4-methylpiperidin-1-yl]benzonitrile
SMILESCC1CCN(c2cccc(C#N)c2)C(CN)C1
InChIInChI=1S/C14H19N3/c1-11-5-6-17(14(7-11)10-16)13-4-2-3-12(8-13)9-15/h2-4,8,11,14H,5-7,10,16H2,1H3
InChIKeyUZWVTVAYLBTAEH-UHFFFAOYSA-N
XLogP2.12
TPSA53.05 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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(aminomethyl)-4-methylpiperidin-1-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-4-methylpiperidin-1-yl]benzonitrile?
The IUPAC name of 3-[2-(aminomethyl)-4-methylpiperidin-1-yl]benzonitrile (CID 103442333) is 3-[2-(aminomethyl)-4-methylpiperidin-1-yl]benzonitrile.
What is the SMILES notation for 3-[2-(aminomethyl)-4-methylpiperidin-1-yl]benzonitrile?
The canonical SMILES for 3-[2-(aminomethyl)-4-methylpiperidin-1-yl]benzonitrile is CC1CCN(c2cccc(C#N)c2)C(CN)C1.
What is the InChIKey of 3-[2-(aminomethyl)-4-methylpiperidin-1-yl]benzonitrile?
The InChIKey is UZWVTVAYLBTAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-5-6-17(14(7-11)10-16)13-4-2-3-12(8-13)9-15/h2-4,8,11,14H,5-7,10,16H2,1H3.
What are the key properties of 3-[2-(aminomethyl)-4-methylpiperidin-1-yl]benzonitrile?
3-[2-(aminomethyl)-4-methylpiperidin-1-yl]benzonitrile has a molecular weight of 229.33 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-4-methylpiperidin-1-yl]benzonitrile is sourced from PubChem (CID 103442333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).