4-(3-aminopiperidin-1-yl)-2-[(4-methylanilino)methyl]benzonitrile

C20H24N4 — CID 135144461

IUPAC4-(3-aminopiperidin-1-yl)-2-[(4-methylanilino)methyl]benzonitrile
SMILESCc1ccc(NCc2cc(N3CCCC(N)C3)ccc2C#N)cc1
InChIInChI=1S/C20H24N4/c1-15-4-7-19(8-5-15)23-13-17-11-20(9-6-16(17)12-21)24-10-2-3-18(22)14-24/h4-9,11,18,23H,2-3,10,13-14,22H2,1H3
InChIKeyIJWPQZWCDGIFII-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.41
Rot. Bonds4

About 4-(3-aminopiperidin-1-yl)-2-[(4-methylanilino)methyl]benzonitrile

4-(3-aminopiperidin-1-yl)-2-[(4-methylanilino)methyl]benzonitrile (PubChem CID 135144461) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-(3-aminopiperidin-1-yl)-2-[(4-methylanilino)methyl]benzonitrile.

Molecular Properties

Compound Name4-(3-aminopiperidin-1-yl)-2-[(4-methylanilino)methyl]benzonitrile
PubChem CID135144461
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name4-(3-aminopiperidin-1-yl)-2-[(4-methylanilino)methyl]benzonitrile
SMILESCc1ccc(NCc2cc(N3CCCC(N)C3)ccc2C#N)cc1
InChIInChI=1S/C20H24N4/c1-15-4-7-19(8-5-15)23-13-17-11-20(9-6-16(17)12-21)24-10-2-3-18(22)14-24/h4-9,11,18,23H,2-3,10,13-14,22H2,1H3
InChIKeyIJWPQZWCDGIFII-UHFFFAOYSA-N
XLogP3.41
TPSA65.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3-aminopiperidin-1-yl)-2-[(4-methylanilino)methyl]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 4-(3-aminopiperidin-1-yl)-2-[(4-methylanilino)methyl]benzonitrile?
The IUPAC name of 4-(3-aminopiperidin-1-yl)-2-[(4-methylanilino)methyl]benzonitrile (CID 135144461) is 4-(3-aminopiperidin-1-yl)-2-[(4-methylanilino)methyl]benzonitrile.
What is the SMILES notation for 4-(3-aminopiperidin-1-yl)-2-[(4-methylanilino)methyl]benzonitrile?
The canonical SMILES for 4-(3-aminopiperidin-1-yl)-2-[(4-methylanilino)methyl]benzonitrile is Cc1ccc(NCc2cc(N3CCCC(N)C3)ccc2C#N)cc1.
What is the InChIKey of 4-(3-aminopiperidin-1-yl)-2-[(4-methylanilino)methyl]benzonitrile?
The InChIKey is IJWPQZWCDGIFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-15-4-7-19(8-5-15)23-13-17-11-20(9-6-16(17)12-21)24-10-2-3-18(22)14-24/h4-9,11,18,23H,2-3,10,13-14,22H2,1H3.
What are the key properties of 4-(3-aminopiperidin-1-yl)-2-[(4-methylanilino)methyl]benzonitrile?
4-(3-aminopiperidin-1-yl)-2-[(4-methylanilino)methyl]benzonitrile has a molecular weight of 320.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopiperidin-1-yl)-2-[(4-methylanilino)methyl]benzonitrile is sourced from PubChem (CID 135144461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).