3-methyl-1-(2-methyl-6-nitrophenyl)piperidin-4-amine

C13H19N3O2 — CID 115553937

IUPAC3-methyl-1-(2-methyl-6-nitrophenyl)piperidin-4-amine
SMILESCc1cccc([N+](=O)[O-])c1N1CCC(N)C(C)C1
InChIInChI=1S/C13H19N3O2/c1-9-4-3-5-12(16(17)18)13(9)15-7-6-11(14)10(2)8-15/h3-5,10-11H,6-8,14H2,1-2H3
InChIKeyNDBJNUBGMKLDLD-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.08
Rot. Bonds2

About 3-methyl-1-(2-methyl-6-nitrophenyl)piperidin-4-amine

3-methyl-1-(2-methyl-6-nitrophenyl)piperidin-4-amine (PubChem CID 115553937) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-methyl-1-(2-methyl-6-nitrophenyl)piperidin-4-amine.

Molecular Properties

Compound Name3-methyl-1-(2-methyl-6-nitrophenyl)piperidin-4-amine
PubChem CID115553937
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-methyl-1-(2-methyl-6-nitrophenyl)piperidin-4-amine
SMILESCc1cccc([N+](=O)[O-])c1N1CCC(N)C(C)C1
InChIInChI=1S/C13H19N3O2/c1-9-4-3-5-12(16(17)18)13(9)15-7-6-11(14)10(2)8-15/h3-5,10-11H,6-8,14H2,1-2H3
InChIKeyNDBJNUBGMKLDLD-UHFFFAOYSA-N
XLogP2.08
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.08
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'}

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Related Compounds

(3R)-1-(2-methyl-6-nitrophenyl)piperidin-3-amine
CID 102986574
1-[1-(2-methyl-6-nitrophenyl)pyrrolidin-3-yl]ethanol
CID 112627908
methyl 1-(2-methyl-6-nitrophenyl)pyrrolidine-3-carboxylate
CID 78918362
2,3-dimethyl-1-(2-methyl-6-nitrophenyl)pyrrolidine
CID 133357599
1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpiperidin-4-amine
CID 103594229
1-[4-(2-methyl-6-nitrophenyl)morpholin-2-yl]ethanamine
CID 115553962
2-[1-(2-methyl-6-nitrophenyl)piperidin-3-yl]acetamide
CID 133341822
2-[1-(2-methyl-6-nitrophenyl)piperidin-4-yl]acetic acid
CID 115551122
1-(5-bromo-2-nitrophenyl)-3-methylpiperidin-4-amine
CID 79867412
3-[1-(2-methyl-6-nitrophenyl)piperidin-4-yl]oxypropan-1-amine
CID 115553935
1-(2-fluoro-5-methoxy-4-nitrophenyl)-3-methylpiperidin-4-amine
CID 107260510
methyl 2-methyl-2-[1-(2-methyl-6-nitrophenyl)piperidin-3-yl]propanoate
CID 133444494

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methyl-6-nitrophenyl)piperidin-4-amine?
The IUPAC name of 3-methyl-1-(2-methyl-6-nitrophenyl)piperidin-4-amine (CID 115553937) is 3-methyl-1-(2-methyl-6-nitrophenyl)piperidin-4-amine.
What is the SMILES notation for 3-methyl-1-(2-methyl-6-nitrophenyl)piperidin-4-amine?
The canonical SMILES for 3-methyl-1-(2-methyl-6-nitrophenyl)piperidin-4-amine is Cc1cccc([N+](=O)[O-])c1N1CCC(N)C(C)C1.
What is the InChIKey of 3-methyl-1-(2-methyl-6-nitrophenyl)piperidin-4-amine?
The InChIKey is NDBJNUBGMKLDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-4-3-5-12(16(17)18)13(9)15-7-6-11(14)10(2)8-15/h3-5,10-11H,6-8,14H2,1-2H3.
What are the key properties of 3-methyl-1-(2-methyl-6-nitrophenyl)piperidin-4-amine?
3-methyl-1-(2-methyl-6-nitrophenyl)piperidin-4-amine has a molecular weight of 249.31 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methyl-6-nitrophenyl)piperidin-4-amine is sourced from PubChem (CID 115553937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).