4-methyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine

C13H19N3O2 — CID 114697177

IUPAC4-methyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine
SMILESCc1c(NC2(C)CCNCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O2/c1-10-11(4-3-5-12(10)16(17)18)15-13(2)6-8-14-9-7-13/h3-5,14-15H,6-9H2,1-2H3
InChIKeyBYYURWMLLAKZKB-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.46
Rot. Bonds3

About 4-methyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine

4-methyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine (PubChem CID 114697177) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine
PubChem CID114697177
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-methyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine
SMILESCc1c(NC2(C)CCNCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O2/c1-10-11(4-3-5-12(10)16(17)18)15-13(2)6-8-14-9-7-13/h3-5,14-15H,6-9H2,1-2H3
InChIKeyBYYURWMLLAKZKB-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

N-(3-fluoro-2-nitrophenyl)-4-methylpiperidin-4-amine
CID 114696949
N-(4-bromo-2-nitrophenyl)-4-methylpiperidin-4-amine
CID 114696945
N-(2-methyl-3-nitrophenyl)piperidin-4-amine
CID 61016357
4-methyl-N-(2-nitro-3-propoxyphenyl)piperidin-4-amine
CID 114697240
N-(5-methoxy-2-nitrophenyl)-4-methylpiperidin-4-amine
CID 114697146
3-methyl-N-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
CID 107425287
2,2-dichloro-1-methyl-N-(2-methyl-3-nitrophenyl)cyclopropane-1-carboxamide
CID 43004765
N-(2-methyl-3-nitrophenyl)hydroxylamine
CID 5489549
3-ethyl-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide
CID 63131107
N-(2-methyl-3-nitrophenyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 63077105
[4-methyl-1-(2-methyl-3-nitroanilino)cyclohexyl]methanol
CID 63077609
N-(2,2-dimethylcyclopentyl)-2-methyl-3-nitroaniline
CID 79859590

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine?
The IUPAC name of 4-methyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine (CID 114697177) is 4-methyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine.
What is the SMILES notation for 4-methyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine?
The canonical SMILES for 4-methyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine is Cc1c(NC2(C)CCNCC2)cccc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine?
The InChIKey is BYYURWMLLAKZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-11(4-3-5-12(10)16(17)18)15-13(2)6-8-14-9-7-13/h3-5,14-15H,6-9H2,1-2H3.
What are the key properties of 4-methyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine?
4-methyl-N-(2-methyl-3-nitrophenyl)piperidin-4-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 4-methyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine is sourced from PubChem (CID 114697177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).