1,2,5-trimethyl-N-(2-methyl-5-nitrophenyl)piperidin-4-amine

C15H23N3O2 — CID 43718577

IUPAC1,2,5-trimethyl-N-(2-methyl-5-nitrophenyl)piperidin-4-amine
SMILESCc1ccc([N+](=O)[O-])cc1NC1CC(C)N(C)CC1C
InChIInChI=1S/C15H23N3O2/c1-10-5-6-13(18(19)20)8-15(10)16-14-7-12(3)17(4)9-11(14)2/h5-6,8,11-12,14,16H,7,9H2,1-4H3
InChIKeyDWJRUPFUWFGGDZ-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.04
Rot. Bonds3

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

1,2,5-trimethyl-N-(2-methyl-5-nitrophenyl)piperidin-4-amine (PubChem CID 43718577) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1,2,5-trimethyl-N-(2-methyl-5-nitrophenyl)piperidin-4-amine.

Molecular Properties

Compound Name1,2,5-trimethyl-N-(2-methyl-5-nitrophenyl)piperidin-4-amine
PubChem CID43718577
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1,2,5-trimethyl-N-(2-methyl-5-nitrophenyl)piperidin-4-amine
SMILESCc1ccc([N+](=O)[O-])cc1NC1CC(C)N(C)CC1C
InChIInChI=1S/C15H23N3O2/c1-10-5-6-13(18(19)20)8-15(10)16-14-7-12(3)17(4)9-11(14)2/h5-6,8,11-12,14,16H,7,9H2,1-4H3
InChIKeyDWJRUPFUWFGGDZ-UHFFFAOYSA-N
XLogP3.04
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.04
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 1,2,5-trimethyl-N-(2-methyl-5-nitrophenyl)piperidin-4-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

N-(4,5-dimethyl-2-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 62098099
N-(2,5-dimethylcyclohexyl)-2-methyl-5-nitroaniline
CID 64762432
N-(5-chloro-2-methylphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665303
N-(3-bromo-4-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 82865025
3-methyl-N-(2-methyl-5-nitrophenyl)oxan-4-amine
CID 114240471
1,3-dimethyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine
CID 114504643
1-methyl-5-(2-methyl-5-nitroanilino)piperidin-2-one
CID 64667196
1-methyl-N-(2-methyl-5-nitrophenyl)piperidin-3-amine
CID 62590133
N-(2-methyl-5-nitrophenyl)adamantan-2-amine
CID 43718569
N-(2-ethylcyclopentyl)-2-methyl-5-nitroaniline
CID 113483374
N-(2-methoxycyclopentyl)-2-methyl-5-nitroaniline
CID 62589032
(2R,3S,4R,5R)-2-(2-methyl-5-nitroanilino)oxane-3,4,5-triol
CID 7065168

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-N-(2-methyl-5-nitrophenyl)piperidin-4-amine?
The IUPAC name of 1,2,5-trimethyl-N-(2-methyl-5-nitrophenyl)piperidin-4-amine (CID 43718577) is 1,2,5-trimethyl-N-(2-methyl-5-nitrophenyl)piperidin-4-amine.
What is the SMILES notation for 1,2,5-trimethyl-N-(2-methyl-5-nitrophenyl)piperidin-4-amine?
The canonical SMILES for 1,2,5-trimethyl-N-(2-methyl-5-nitrophenyl)piperidin-4-amine is Cc1ccc([N+](=O)[O-])cc1NC1CC(C)N(C)CC1C.
What is the InChIKey of 1,2,5-trimethyl-N-(2-methyl-5-nitrophenyl)piperidin-4-amine?
The InChIKey is DWJRUPFUWFGGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-5-6-13(18(19)20)8-15(10)16-14-7-12(3)17(4)9-11(14)2/h5-6,8,11-12,14,16H,7,9H2,1-4H3.
What are the key properties of 1,2,5-trimethyl-N-(2-methyl-5-nitrophenyl)piperidin-4-amine?
1,2,5-trimethyl-N-(2-methyl-5-nitrophenyl)piperidin-4-amine has a molecular weight of 277.37 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-N-(2-methyl-5-nitrophenyl)piperidin-4-amine is sourced from PubChem (CID 43718577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).