N-[3-(difluoromethoxy)-4-nitrophenyl]-N,1,3-trimethylpiperidin-4-amine

C15H21F2N3O3 — CID 133429286

IUPACN-[3-(difluoromethoxy)-4-nitrophenyl]-N,1,3-trimethylpiperidin-4-amine
SMILESCC1CN(C)CCC1N(C)c1ccc([N+](=O)[O-])c(OC(F)F)c1
InChIInChI=1S/C15H21F2N3O3/c1-10-9-18(2)7-6-12(10)19(3)11-4-5-13(20(21)22)14(8-11)23-15(16)17/h4-5,8,10,12,15H,6-7,9H2,1-3H3
InChIKeyHHJDWUJCXFIJON-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.97
Rot. Bonds5

About N-[3-(difluoromethoxy)-4-nitrophenyl]-N,1,3-trimethylpiperidin-4-amine

N-[3-(difluoromethoxy)-4-nitrophenyl]-N,1,3-trimethylpiperidin-4-amine (PubChem CID 133429286) has the molecular formula C15H21F2N3O3 and a molecular weight of 329.35 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-4-nitrophenyl]-N,1,3-trimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-4-nitrophenyl]-N,1,3-trimethylpiperidin-4-amine
PubChem CID133429286
Molecular FormulaC15H21F2N3O3
Molecular Weight329.35 g/mol
Exact Mass329.16
IUPAC NameN-[3-(difluoromethoxy)-4-nitrophenyl]-N,1,3-trimethylpiperidin-4-amine
SMILESCC1CN(C)CCC1N(C)c1ccc([N+](=O)[O-])c(OC(F)F)c1
InChIInChI=1S/C15H21F2N3O3/c1-10-9-18(2)7-6-12(10)19(3)11-4-5-13(20(21)22)14(8-11)23-15(16)17/h4-5,8,10,12,15H,6-7,9H2,1-3H3
InChIKeyHHJDWUJCXFIJON-UHFFFAOYSA-N
XLogP2.97
TPSA58.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.97
H-Bond Donors ≤ 50
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-[3-(difluoromethoxy)-4-nitrophenyl]-N,1,3-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

Related Compounds

N-[3-(difluoromethoxy)-4-nitrophenyl]tricyclo[3.2.1.02,4]octan-3-amine
CID 133430442
cis-(1S,3R)-3-N-[3-(difluoromethoxy)-4-nitrophenyl]-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 100638219
1-[3-(difluoromethoxy)-4-nitrophenyl]-4-(2-methylpyrrolidin-1-yl)piperidine
CID 133396091
1-[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-nitrophenyl]ethanone
CID 104613484
1-[3-(difluoromethoxy)-4-nitrophenyl]piperidine-4-carboxylic acid
CID 120963896
1-[3-(difluoromethoxy)-4-nitrophenyl]piperidin-4-one
CID 164568517
2-[3-(difluoromethoxy)-4-nitrophenyl]-1,3,3a,4,7,7a-hexahydroisoindole
CID 133322988
N-[3-(difluoromethoxy)-4-nitrophenyl]-1-(1-methylpyrazol-4-yl)piperidin-3-amine
CID 133330169
(3R,4R)-N,1,3-trimethyl-N-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)piperidin-4-amine
CID 98773617
3-(difluoromethoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-nitroaniline
CID 133424663
N-(5-methoxy-2-nitrophenyl)-1,3-dimethylpiperidin-4-amine
CID 114504788
trans-(1S,2S)-2-[3-(difluoromethoxy)-4-nitroanilino]cyclohexan-1-ol
CID 133495377

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-4-nitrophenyl]-N,1,3-trimethylpiperidin-4-amine?
The IUPAC name of N-[3-(difluoromethoxy)-4-nitrophenyl]-N,1,3-trimethylpiperidin-4-amine (CID 133429286) is N-[3-(difluoromethoxy)-4-nitrophenyl]-N,1,3-trimethylpiperidin-4-amine.
What is the SMILES notation for N-[3-(difluoromethoxy)-4-nitrophenyl]-N,1,3-trimethylpiperidin-4-amine?
The canonical SMILES for N-[3-(difluoromethoxy)-4-nitrophenyl]-N,1,3-trimethylpiperidin-4-amine is CC1CN(C)CCC1N(C)c1ccc([N+](=O)[O-])c(OC(F)F)c1.
What is the InChIKey of N-[3-(difluoromethoxy)-4-nitrophenyl]-N,1,3-trimethylpiperidin-4-amine?
The InChIKey is HHJDWUJCXFIJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O3/c1-10-9-18(2)7-6-12(10)19(3)11-4-5-13(20(21)22)14(8-11)23-15(16)17/h4-5,8,10,12,15H,6-7,9H2,1-3H3.
What are the key properties of N-[3-(difluoromethoxy)-4-nitrophenyl]-N,1,3-trimethylpiperidin-4-amine?
N-[3-(difluoromethoxy)-4-nitrophenyl]-N,1,3-trimethylpiperidin-4-amine has a molecular weight of 329.35 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-4-nitrophenyl]-N,1,3-trimethylpiperidin-4-amine is sourced from PubChem (CID 133429286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).