N-(4,5-dimethyl-2-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine

C16H25N3O2 — CID 62098099

IUPACN-(4,5-dimethyl-2-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine
SMILESCc1cc(NC2CC(C)N(C)CC2C)c([N+](=O)[O-])cc1C
InChIInChI=1S/C16H25N3O2/c1-10-6-15(16(19(20)21)7-11(10)2)17-14-8-13(4)18(5)9-12(14)3/h6-7,12-14,17H,8-9H2,1-5H3
InChIKeyGSLMBESEQIQGIG-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.35
Rot. Bonds3

About N-(4,5-dimethyl-2-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine

N-(4,5-dimethyl-2-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine (PubChem CID 62098099) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(4,5-dimethyl-2-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(4,5-dimethyl-2-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine
PubChem CID62098099
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-(4,5-dimethyl-2-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine
SMILESCc1cc(NC2CC(C)N(C)CC2C)c([N+](=O)[O-])cc1C
InChIInChI=1S/C16H25N3O2/c1-10-6-15(16(19(20)21)7-11(10)2)17-14-8-13(4)18(5)9-12(14)3/h6-7,12-14,17H,8-9H2,1-5H3
InChIKeyGSLMBESEQIQGIG-UHFFFAOYSA-N
XLogP3.35
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.35
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 N-(4,5-dimethyl-2-nitrophenyl)-1,2,5-trimethylpiperidin-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

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-2-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine?
The IUPAC name of N-(4,5-dimethyl-2-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine (CID 62098099) is N-(4,5-dimethyl-2-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine.
What is the SMILES notation for N-(4,5-dimethyl-2-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine?
The canonical SMILES for N-(4,5-dimethyl-2-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine is Cc1cc(NC2CC(C)N(C)CC2C)c([N+](=O)[O-])cc1C.
What is the InChIKey of N-(4,5-dimethyl-2-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine?
The InChIKey is GSLMBESEQIQGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-10-6-15(16(19(20)21)7-11(10)2)17-14-8-13(4)18(5)9-12(14)3/h6-7,12-14,17H,8-9H2,1-5H3.
What are the key properties of N-(4,5-dimethyl-2-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine?
N-(4,5-dimethyl-2-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine has a molecular weight of 291.40 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-2-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine is sourced from PubChem (CID 62098099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).