N-ethyl-N-(3-methoxy-4-nitrophenyl)piperidin-3-amine

C14H21N3O3 — CID 63670184

IUPACN-ethyl-N-(3-methoxy-4-nitrophenyl)piperidin-3-amine
SMILESCCN(c1ccc([N+](=O)[O-])c(OC)c1)C1CCCNC1
InChIInChI=1S/C14H21N3O3/c1-3-16(12-5-4-8-15-10-12)11-6-7-13(17(18)19)14(9-11)20-2/h6-7,9,12,15H,3-5,8,10H2,1-2H3
InChIKeyCBNPJZIHBWGYRP-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.18
Rot. Bonds5

About N-ethyl-N-(3-methoxy-4-nitrophenyl)piperidin-3-amine

N-ethyl-N-(3-methoxy-4-nitrophenyl)piperidin-3-amine (PubChem CID 63670184) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-ethyl-N-(3-methoxy-4-nitrophenyl)piperidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(3-methoxy-4-nitrophenyl)piperidin-3-amine
PubChem CID63670184
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-ethyl-N-(3-methoxy-4-nitrophenyl)piperidin-3-amine
SMILESCCN(c1ccc([N+](=O)[O-])c(OC)c1)C1CCCNC1
InChIInChI=1S/C14H21N3O3/c1-3-16(12-5-4-8-15-10-12)11-6-7-13(17(18)19)14(9-11)20-2/h6-7,9,12,15H,3-5,8,10H2,1-2H3
InChIKeyCBNPJZIHBWGYRP-UHFFFAOYSA-N
XLogP2.18
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-ethyl-N-(3-methoxy-4-nitrophenyl)piperidin-3-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-(5-bromo-2-nitrophenyl)-N-ethylpiperidin-3-amine
CID 65343726
N-(4-methoxy-2-nitrophenyl)-N-propylpiperidin-3-amine
CID 63636836
N-ethyl-3-methoxy-4-nitro-N-pyrrolidin-3-ylbenzamide
CID 104783801
N-ethyl-N-(4-methyl-2-nitrophenyl)piperidin-3-amine
CID 63636312
N-ethyl-6-nitro-N-piperidin-3-ylpyridin-3-amine
CID 55244163
N-ethyl-N-(2-fluoro-5-methoxy-4-nitrophenyl)pyrrolidin-3-amine
CID 107260461
N-ethyl-N-(3-methyl-4-nitrophenyl)azetidin-3-amine
CID 66182840
N-ethyl-3-nitro-N-piperidin-3-ylpyridin-4-amine
CID 63638439
N-(3-methoxy-4-nitrophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 63671358
3-methoxy-N-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119978738
5-bromo-N-ethyl-3-nitro-N-piperidin-3-ylpyridin-2-amine
CID 63638104
3-methoxy-N-methyl-4-nitro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552123

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methoxy-4-nitrophenyl)piperidin-3-amine?
The IUPAC name of N-ethyl-N-(3-methoxy-4-nitrophenyl)piperidin-3-amine (CID 63670184) is N-ethyl-N-(3-methoxy-4-nitrophenyl)piperidin-3-amine.
What is the SMILES notation for N-ethyl-N-(3-methoxy-4-nitrophenyl)piperidin-3-amine?
The canonical SMILES for N-ethyl-N-(3-methoxy-4-nitrophenyl)piperidin-3-amine is CCN(c1ccc([N+](=O)[O-])c(OC)c1)C1CCCNC1.
What is the InChIKey of N-ethyl-N-(3-methoxy-4-nitrophenyl)piperidin-3-amine?
The InChIKey is CBNPJZIHBWGYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-16(12-5-4-8-15-10-12)11-6-7-13(17(18)19)14(9-11)20-2/h6-7,9,12,15H,3-5,8,10H2,1-2H3.
What are the key properties of N-ethyl-N-(3-methoxy-4-nitrophenyl)piperidin-3-amine?
N-ethyl-N-(3-methoxy-4-nitrophenyl)piperidin-3-amine has a molecular weight of 279.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methoxy-4-nitrophenyl)piperidin-3-amine is sourced from PubChem (CID 63670184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).