2-methyl-N-(3-methyl-2-nitrophenyl)piperidin-3-amine

C13H19N3O2 — CID 114041911

IUPAC2-methyl-N-(3-methyl-2-nitrophenyl)piperidin-3-amine
SMILESCc1cccc(NC2CCCNC2C)c1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O2/c1-9-5-3-6-12(13(9)16(17)18)15-11-7-4-8-14-10(11)2/h3,5-6,10-11,14-15H,4,7-8H2,1-2H3
InChIKeyLHFSKUDNODBTNX-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.46
Rot. Bonds3

About 2-methyl-N-(3-methyl-2-nitrophenyl)piperidin-3-amine

2-methyl-N-(3-methyl-2-nitrophenyl)piperidin-3-amine (PubChem CID 114041911) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-methyl-N-(3-methyl-2-nitrophenyl)piperidin-3-amine.

Molecular Properties

Compound Name2-methyl-N-(3-methyl-2-nitrophenyl)piperidin-3-amine
PubChem CID114041911
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-methyl-N-(3-methyl-2-nitrophenyl)piperidin-3-amine
SMILESCc1cccc(NC2CCCNC2C)c1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O2/c1-9-5-3-6-12(13(9)16(17)18)15-11-7-4-8-14-10(11)2/h3,5-6,10-11,14-15H,4,7-8H2,1-2H3
InChIKeyLHFSKUDNODBTNX-UHFFFAOYSA-N
XLogP2.46
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.46
H-Bond Donors ≤ 52
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

2-methyl-N-(2-nitro-3-propan-2-yloxyphenyl)piperidin-3-amine
CID 114695421
N-(2-methylpiperidin-3-yl)-2-nitropyridin-3-amine
CID 114695322
N-(4-fluoro-2-nitrophenyl)-2-methylpiperidin-3-amine
CID 114695569
3-fluoro-N-(2-methylpiperidin-3-yl)-2-nitrobenzenesulfonamide;hydrochloride
CID 120726621
N-[2-(difluoromethyl)-4-nitrophenyl]-2-methylpiperidin-3-amine
CID 114695531
3-methyl-2-nitro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62540214
N-(2-methylpiperidin-3-yl)-4-nitro-1,3-benzoxazol-2-amine
CID 114695633
N-(2-methylpiperidin-3-yl)-2-(3-nitrophenyl)acetamide
CID 114695003
N-methyl-2-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide
CID 114695588
N-(5-bromo-4-fluoro-2-nitrophenyl)-2-methylpiperidin-3-amine
CID 114695324
N-(2-methylpiperidin-3-yl)-3-(2-nitroanilino)propanamide;hydrochloride
CID 120574846
N-(2-fluoro-5-methoxy-4-nitrophenyl)-2-methylpiperidin-3-amine
CID 107260546

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methyl-2-nitrophenyl)piperidin-3-amine?
The IUPAC name of 2-methyl-N-(3-methyl-2-nitrophenyl)piperidin-3-amine (CID 114041911) is 2-methyl-N-(3-methyl-2-nitrophenyl)piperidin-3-amine.
What is the SMILES notation for 2-methyl-N-(3-methyl-2-nitrophenyl)piperidin-3-amine?
The canonical SMILES for 2-methyl-N-(3-methyl-2-nitrophenyl)piperidin-3-amine is Cc1cccc(NC2CCCNC2C)c1[N+](=O)[O-].
What is the InChIKey of 2-methyl-N-(3-methyl-2-nitrophenyl)piperidin-3-amine?
The InChIKey is LHFSKUDNODBTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-5-3-6-12(13(9)16(17)18)15-11-7-4-8-14-10(11)2/h3,5-6,10-11,14-15H,4,7-8H2,1-2H3.
What are the key properties of 2-methyl-N-(3-methyl-2-nitrophenyl)piperidin-3-amine?
2-methyl-N-(3-methyl-2-nitrophenyl)piperidin-3-amine has a molecular weight of 249.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methyl-2-nitrophenyl)piperidin-3-amine is sourced from PubChem (CID 114041911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).