4-methyl-1-N-(1-methylpiperidin-3-yl)benzene-1,3-diamine

C13H21N3 — CID 62911293

IUPAC4-methyl-1-N-(1-methylpiperidin-3-yl)benzene-1,3-diamine
SMILESCc1ccc(NC2CCCN(C)C2)cc1N
InChIInChI=1S/C13H21N3/c1-10-5-6-11(8-13(10)14)15-12-4-3-7-16(2)9-12/h5-6,8,12,15H,3-4,7,9,14H2,1-2H3
InChIKeySETWJXLUVLILPR-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.08
Rot. Bonds2

About 4-methyl-1-N-(1-methylpiperidin-3-yl)benzene-1,3-diamine

4-methyl-1-N-(1-methylpiperidin-3-yl)benzene-1,3-diamine (PubChem CID 62911293) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-methyl-1-N-(1-methylpiperidin-3-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-methyl-1-N-(1-methylpiperidin-3-yl)benzene-1,3-diamine
PubChem CID62911293
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name4-methyl-1-N-(1-methylpiperidin-3-yl)benzene-1,3-diamine
SMILESCc1ccc(NC2CCCN(C)C2)cc1N
InChIInChI=1S/C13H21N3/c1-10-5-6-11(8-13(10)14)15-12-4-3-7-16(2)9-12/h5-6,8,12,15H,3-4,7,9,14H2,1-2H3
InChIKeySETWJXLUVLILPR-UHFFFAOYSA-N
XLogP2.08
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-methyl-1-N-(1-methylpiperidin-3-yl)benzene-1,3-diamine 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

2-amino-4-[(1-methylpiperidin-3-yl)amino]benzoic acid
CID 104500309
1-methyl-N-(4-methyl-3-nitrophenyl)piperidin-3-amine
CID 62912816
3-amino-4-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 61211762
1-methyl-N-(3-methyl-4-nitrophenyl)piperidin-3-amine
CID 61211811
4-methyl-1-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine
CID 65472351
N-(3-bromo-4-methylphenyl)-1-methylpyrrolidin-3-amine
CID 63333499
5-amino-2,4-dimethyl-N-(1-methylpiperidin-3-yl)benzamide
CID 102705323
N-(4-fluoro-3-methoxyphenyl)-1-methylpiperidin-3-amine
CID 114838333
2-chloro-4-[(1-methylpiperidin-3-yl)amino]benzenecarbothioamide
CID 55154328
5-methyl-2-N-(1-methylpiperidin-3-yl)pyridine-2,3-diamine
CID 66279959
2-fluoro-4-[(1-methylpiperidin-3-yl)amino]benzoic acid
CID 113319762
N-(furan-3-yl)-1-methylpiperidin-3-amine
CID 163213114

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-N-(1-methylpiperidin-3-yl)benzene-1,3-diamine?
The IUPAC name of 4-methyl-1-N-(1-methylpiperidin-3-yl)benzene-1,3-diamine (CID 62911293) is 4-methyl-1-N-(1-methylpiperidin-3-yl)benzene-1,3-diamine.
What is the SMILES notation for 4-methyl-1-N-(1-methylpiperidin-3-yl)benzene-1,3-diamine?
The canonical SMILES for 4-methyl-1-N-(1-methylpiperidin-3-yl)benzene-1,3-diamine is Cc1ccc(NC2CCCN(C)C2)cc1N.
What is the InChIKey of 4-methyl-1-N-(1-methylpiperidin-3-yl)benzene-1,3-diamine?
The InChIKey is SETWJXLUVLILPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-5-6-11(8-13(10)14)15-12-4-3-7-16(2)9-12/h5-6,8,12,15H,3-4,7,9,14H2,1-2H3.
What are the key properties of 4-methyl-1-N-(1-methylpiperidin-3-yl)benzene-1,3-diamine?
4-methyl-1-N-(1-methylpiperidin-3-yl)benzene-1,3-diamine has a molecular weight of 219.33 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-N-(1-methylpiperidin-3-yl)benzene-1,3-diamine is sourced from PubChem (CID 62911293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).