2-methyl-1-(5-methyl-2-nitrophenyl)piperidin-4-amine

C13H19N3O2 — CID 113284668

IUPAC2-methyl-1-(5-methyl-2-nitrophenyl)piperidin-4-amine
SMILESCc1ccc([N+](=O)[O-])c(N2CCC(N)CC2C)c1
InChIInChI=1S/C13H19N3O2/c1-9-3-4-12(16(17)18)13(7-9)15-6-5-11(14)8-10(15)2/h3-4,7,10-11H,5-6,8,14H2,1-2H3
InChIKeyDGMRPEOZKXPCFY-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.22
Rot. Bonds2

About 2-methyl-1-(5-methyl-2-nitrophenyl)piperidin-4-amine

2-methyl-1-(5-methyl-2-nitrophenyl)piperidin-4-amine (PubChem CID 113284668) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-methyl-1-(5-methyl-2-nitrophenyl)piperidin-4-amine.

Molecular Properties

Compound Name2-methyl-1-(5-methyl-2-nitrophenyl)piperidin-4-amine
PubChem CID113284668
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-methyl-1-(5-methyl-2-nitrophenyl)piperidin-4-amine
SMILESCc1ccc([N+](=O)[O-])c(N2CCC(N)CC2C)c1
InChIInChI=1S/C13H19N3O2/c1-9-3-4-12(16(17)18)13(7-9)15-6-5-11(14)8-10(15)2/h3-4,7,10-11H,5-6,8,14H2,1-2H3
InChIKeyDGMRPEOZKXPCFY-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
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

1-(5-methyl-2-nitrophenyl)piperidin-4-amine
CID 71063718
[4-methyl-1-(5-methyl-2-nitrophenyl)piperidin-2-yl]methanamine
CID 103442230
[4-ethyl-1-(5-methyl-2-nitrophenyl)piperidin-2-yl]methanamine
CID 103353489
2-methyl-1-(4-nitrophenyl)piperidin-4-amine
CID 115313391
1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
CID 62067743
[4-methyl-1-(5-methyl-2-nitrophenyl)piperazin-2-yl]methanamine
CID 80506472
2-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-amine
CID 103964815
(3S)-1-(5-methyl-2-nitrophenyl)pyrrolidin-3-ol
CID 103748333
(3S)-3-methyl-1-(5-methyl-2-nitrophenyl)piperazine
CID 104977584
(3R)-1-(4-methyl-2-nitrophenyl)piperidin-3-amine
CID 102985903
1-(5-methyl-2-nitrophenyl)piperidin-3-ol
CID 79020369
3-methyl-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine
CID 105454751

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methyl-2-nitrophenyl)piperidin-4-amine?
The IUPAC name of 2-methyl-1-(5-methyl-2-nitrophenyl)piperidin-4-amine (CID 113284668) is 2-methyl-1-(5-methyl-2-nitrophenyl)piperidin-4-amine.
What is the SMILES notation for 2-methyl-1-(5-methyl-2-nitrophenyl)piperidin-4-amine?
The canonical SMILES for 2-methyl-1-(5-methyl-2-nitrophenyl)piperidin-4-amine is Cc1ccc([N+](=O)[O-])c(N2CCC(N)CC2C)c1.
What is the InChIKey of 2-methyl-1-(5-methyl-2-nitrophenyl)piperidin-4-amine?
The InChIKey is DGMRPEOZKXPCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-3-4-12(16(17)18)13(7-9)15-6-5-11(14)8-10(15)2/h3-4,7,10-11H,5-6,8,14H2,1-2H3.
What are the key properties of 2-methyl-1-(5-methyl-2-nitrophenyl)piperidin-4-amine?
2-methyl-1-(5-methyl-2-nitrophenyl)piperidin-4-amine has a molecular weight of 249.31 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methyl-2-nitrophenyl)piperidin-4-amine is sourced from PubChem (CID 113284668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).