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

C15H21N3 — CID 62545532

IUPAC3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile
SMILESCN1CCCC(N(C)Cc2cccc(C#N)c2)C1
InChIInChI=1S/C15H21N3/c1-17-8-4-7-15(12-17)18(2)11-14-6-3-5-13(9-14)10-16/h3,5-6,9,15H,4,7-8,11-12H2,1-2H3
InChIKeyIVNABKLKJJJMCC-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.08
Rot. Bonds3

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

3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile (PubChem CID 62545532) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile
PubChem CID62545532
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile
SMILESCN1CCCC(N(C)Cc2cccc(C#N)c2)C1
InChIInChI=1S/C15H21N3/c1-17-8-4-7-15(12-17)18(2)11-14-6-3-5-13(9-14)10-16/h3,5-6,9,15H,4,7-8,11-12H2,1-2H3
InChIKeyIVNABKLKJJJMCC-UHFFFAOYSA-N
XLogP2.08
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[[methyl-(1-methylpiperidin-3-yl)amino]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

Related Compounds

N-benzyl-N,1-dimethylpiperidin-3-amine;ethane
CID 142272680
3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]benzonitrile
CID 79313570
3-[[(3-aminocyclopentyl)-methylamino]methyl]benzonitrile
CID 79469055
3-[(4-amino-3-chloro-N-[(3S)-1-methylpyrrolidin-3-yl]anilino)methyl]benzonitrile
CID 89042062
3-[[cyclopropylmethyl(methyl)amino]methyl]benzonitrile
CID 47053990
3-[[(2-hydroxycyclopentyl)-methylamino]methyl]benzonitrile
CID 62967745
4-fluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile
CID 107902822
N-[(3-amino-4-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 55084699
3-[(2,4-dimethylpiperazin-1-yl)methyl]benzonitrile
CID 71877621
3-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
CID 79707092
3-[[cyclopentyl(3-methylbutyl)amino]methyl]benzonitrile
CID 78982950
2-[methyl-(1-methylpiperidin-3-yl)amino]pyridine-4-carbonitrile
CID 62547856

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile?
The IUPAC name of 3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile (CID 62545532) is 3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile.
What is the SMILES notation for 3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile?
The canonical SMILES for 3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile is CN1CCCC(N(C)Cc2cccc(C#N)c2)C1.
What is the InChIKey of 3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile?
The InChIKey is IVNABKLKJJJMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-17-8-4-7-15(12-17)18(2)11-14-6-3-5-13(9-14)10-16/h3,5-6,9,15H,4,7-8,11-12H2,1-2H3.
What are the key properties of 3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile?
3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile has a molecular weight of 243.35 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile is sourced from PubChem (CID 62545532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).