N-(2-methyl-6-nitrophenyl)-1-(2-methylpropyl)piperidin-4-amine

C16H25N3O2 — CID 75419291

IUPACN-(2-methyl-6-nitrophenyl)-1-(2-methylpropyl)piperidin-4-amine
SMILESCc1cccc([N+](=O)[O-])c1NC1CCN(CC(C)C)CC1
InChIInChI=1S/C16H25N3O2/c1-12(2)11-18-9-7-14(8-10-18)17-16-13(3)5-4-6-15(16)19(20)21/h4-6,12,14,17H,7-11H2,1-3H3
InChIKeyMRLXBCLJVKGLRH-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.44
Rot. Bonds5

About N-(2-methyl-6-nitrophenyl)-1-(2-methylpropyl)piperidin-4-amine

N-(2-methyl-6-nitrophenyl)-1-(2-methylpropyl)piperidin-4-amine (PubChem CID 75419291) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(2-methyl-6-nitrophenyl)-1-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-methyl-6-nitrophenyl)-1-(2-methylpropyl)piperidin-4-amine
PubChem CID75419291
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(2-methyl-6-nitrophenyl)-1-(2-methylpropyl)piperidin-4-amine
SMILESCc1cccc([N+](=O)[O-])c1NC1CCN(CC(C)C)CC1
InChIInChI=1S/C16H25N3O2/c1-12(2)11-18-9-7-14(8-10-18)17-16-13(3)5-4-6-15(16)19(20)21/h4-6,12,14,17H,7-11H2,1-3H3
InChIKeyMRLXBCLJVKGLRH-UHFFFAOYSA-N
XLogP3.44
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.44
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-(2-methyl-6-nitrophenyl)-1-(2-methylpropyl)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

ethyl 4-(2-methyl-6-nitroanilino)piperidine-1-carboxylate
CID 22380652
N-(2-methyl-6-nitrophenyl)-1-phenylpyrrolidin-3-amine
CID 133292303
N-(3,4-dimethylcyclohexyl)-2-methyl-6-nitroaniline
CID 115551488
2-(2-methoxyphenyl)-1-[4-(2-methyl-6-nitroanilino)piperidin-1-yl]ethanone
CID 133447440
1-(2,6-dinitrophenyl)-4-(2-methylpropyl)piperazine
CID 174454326
3-(2-methyl-6-nitroanilino)cyclohexane-1-carboxylic acid
CID 115551068
N-bromo-2-methyl-6-nitroaniline
CID 140553007
1-tert-butyl-4-(2-methyl-6-nitroanilino)pyrrolidin-2-one
CID 133341840
2-methyl-6-nitro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 78918375
trans-(1R,2R)-2-N-(2-methyl-6-nitrophenyl)cyclohexane-1,2-diamine
CID 102738826
N-(2-ethylphenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103930824
N-(2-cyclopropylethyl)-2-methyl-6-nitroaniline
CID 79033691

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-nitrophenyl)-1-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of N-(2-methyl-6-nitrophenyl)-1-(2-methylpropyl)piperidin-4-amine (CID 75419291) is N-(2-methyl-6-nitrophenyl)-1-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for N-(2-methyl-6-nitrophenyl)-1-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for N-(2-methyl-6-nitrophenyl)-1-(2-methylpropyl)piperidin-4-amine is Cc1cccc([N+](=O)[O-])c1NC1CCN(CC(C)C)CC1.
What is the InChIKey of N-(2-methyl-6-nitrophenyl)-1-(2-methylpropyl)piperidin-4-amine?
The InChIKey is MRLXBCLJVKGLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(2)11-18-9-7-14(8-10-18)17-16-13(3)5-4-6-15(16)19(20)21/h4-6,12,14,17H,7-11H2,1-3H3.
What are the key properties of N-(2-methyl-6-nitrophenyl)-1-(2-methylpropyl)piperidin-4-amine?
N-(2-methyl-6-nitrophenyl)-1-(2-methylpropyl)piperidin-4-amine has a molecular weight of 291.39 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-nitrophenyl)-1-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 75419291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).