1-methyl-N-(4-methyl-3-nitrophenyl)piperidin-3-amine

C13H19N3O2 — CID 62912816

IUPAC1-methyl-N-(4-methyl-3-nitrophenyl)piperidin-3-amine
SMILESCc1ccc(NC2CCCN(C)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O2/c1-10-5-6-11(8-13(10)16(17)18)14-12-4-3-7-15(2)9-12/h5-6,8,12,14H,3-4,7,9H2,1-2H3
InChIKeyLJQMNMYBRVJVHQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.41
Rot. Bonds3

About 1-methyl-N-(4-methyl-3-nitrophenyl)piperidin-3-amine

1-methyl-N-(4-methyl-3-nitrophenyl)piperidin-3-amine (PubChem CID 62912816) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-methyl-N-(4-methyl-3-nitrophenyl)piperidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-(4-methyl-3-nitrophenyl)piperidin-3-amine
PubChem CID62912816
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-methyl-N-(4-methyl-3-nitrophenyl)piperidin-3-amine
SMILESCc1ccc(NC2CCCN(C)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O2/c1-10-5-6-11(8-13(10)16(17)18)14-12-4-3-7-15(2)9-12/h5-6,8,12,14H,3-4,7,9H2,1-2H3
InChIKeyLJQMNMYBRVJVHQ-UHFFFAOYSA-N
XLogP2.41
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-methyl-N-(4-methyl-3-nitrophenyl)piperidin-3-amine 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

1-methyl-N-(3-methyl-4-nitrophenyl)piperidin-3-amine
CID 61211811
1-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]piperidin-3-amine
CID 61211812
4-methyl-1-N-(1-methylpiperidin-3-yl)benzene-1,3-diamine
CID 62911293
1-methyl-N-(2-methyl-5-nitrophenyl)piperidin-3-amine
CID 62590133
4-(4-methyl-3-nitroanilino)piperidine-1-carboxamide
CID 43785542
1-methyl-N-[(4-methyl-3-nitrophenyl)methyl]pyrrolidin-3-amine
CID 54949774
N-(4,5-dimethyl-2-nitrophenyl)-1-methylpyrrolidin-3-amine
CID 55142177
N-(2,4-dimethyl-5-nitrophenyl)-1-methylazepan-4-amine
CID 104757350
N-(2,5-dimethyl-4-nitrophenyl)-1-methylazepan-4-amine
CID 103144841
1-cyclopentyl-N-(3-methyl-4-nitrophenyl)pyrrolidin-3-amine
CID 133320329
1-N-(4-methyl-3-nitrophenyl)cyclopentane-1,2-diamine
CID 63252271
N-(3-ethoxy-5-nitrophenyl)-1-methylpiperidin-3-amine
CID 80724323

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methyl-3-nitrophenyl)piperidin-3-amine?
The IUPAC name of 1-methyl-N-(4-methyl-3-nitrophenyl)piperidin-3-amine (CID 62912816) is 1-methyl-N-(4-methyl-3-nitrophenyl)piperidin-3-amine.
What is the SMILES notation for 1-methyl-N-(4-methyl-3-nitrophenyl)piperidin-3-amine?
The canonical SMILES for 1-methyl-N-(4-methyl-3-nitrophenyl)piperidin-3-amine is Cc1ccc(NC2CCCN(C)C2)cc1[N+](=O)[O-].
What is the InChIKey of 1-methyl-N-(4-methyl-3-nitrophenyl)piperidin-3-amine?
The InChIKey is LJQMNMYBRVJVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-5-6-11(8-13(10)16(17)18)14-12-4-3-7-15(2)9-12/h5-6,8,12,14H,3-4,7,9H2,1-2H3.
What are the key properties of 1-methyl-N-(4-methyl-3-nitrophenyl)piperidin-3-amine?
1-methyl-N-(4-methyl-3-nitrophenyl)piperidin-3-amine has a molecular weight of 249.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methyl-3-nitrophenyl)piperidin-3-amine is sourced from PubChem (CID 62912816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).