N-(2-fluoro-5-methoxy-4-nitrophenyl)-2-methylpiperidin-3-amine

C13H18FN3O3 — CID 107260546

IUPACN-(2-fluoro-5-methoxy-4-nitrophenyl)-2-methylpiperidin-3-amine
SMILESCOc1cc(NC2CCCNC2C)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H18FN3O3/c1-8-10(4-3-5-15-8)16-11-7-13(20-2)12(17(18)19)6-9(11)14/h6-8,10,15-16H,3-5H2,1-2H3
InChIKeyQLHYLWKHXZTQRP-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.29
Rot. Bonds4

About N-(2-fluoro-5-methoxy-4-nitrophenyl)-2-methylpiperidin-3-amine

N-(2-fluoro-5-methoxy-4-nitrophenyl)-2-methylpiperidin-3-amine (PubChem CID 107260546) has the molecular formula C13H18FN3O3 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-(2-fluoro-5-methoxy-4-nitrophenyl)-2-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-(2-fluoro-5-methoxy-4-nitrophenyl)-2-methylpiperidin-3-amine
PubChem CID107260546
Molecular FormulaC13H18FN3O3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN-(2-fluoro-5-methoxy-4-nitrophenyl)-2-methylpiperidin-3-amine
SMILESCOc1cc(NC2CCCNC2C)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H18FN3O3/c1-8-10(4-3-5-15-8)16-11-7-13(20-2)12(17(18)19)6-9(11)14/h6-8,10,15-16H,3-5H2,1-2H3
InChIKeyQLHYLWKHXZTQRP-UHFFFAOYSA-N
XLogP2.29
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.29
H-Bond Donors ≤ 52
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'}

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Related Compounds

trans-(1R,2R)-2-N-(2-fluoro-5-methoxy-4-nitrophenyl)cyclohexane-1,2-diamine
CID 107260556
N-(5-bromo-4-fluoro-2-nitrophenyl)-2-methylpiperidin-3-amine
CID 114695324
N-(4-fluoro-2-nitrophenyl)-2-methylpiperidin-3-amine
CID 114695569
2-fluoro-5-methoxy-4-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]aniline
CID 107260550
N-(4,4-dimethylcyclohexyl)-2-fluoro-5-methoxy-4-nitroaniline
CID 107260322
2-N-(4-fluoro-5-methoxy-2-nitrophenyl)cyclohexane-1,2-diamine
CID 63597632
2-[(2-fluoro-5-methoxy-4-nitrophenoxy)methyl]pyrrolidine
CID 107260637
4-fluoro-5-methoxy-2-nitro-N-(2-pyrrolidin-2-ylethyl)aniline
CID 114794371
2-[(2-fluoro-5-methoxy-4-nitroanilino)methyl]cyclopentan-1-ol
CID 103867526
2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-(2-methylpiperidin-3-yl)acetamide
CID 120577158
6-methoxy-N-(2-methylpiperidin-3-yl)-3-nitropyridin-2-amine
CID 114695495
N-[2-(difluoromethyl)-4-nitrophenyl]-2-methylpiperidin-3-amine
CID 114695531

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methoxy-4-nitrophenyl)-2-methylpiperidin-3-amine?
The IUPAC name of N-(2-fluoro-5-methoxy-4-nitrophenyl)-2-methylpiperidin-3-amine (CID 107260546) is N-(2-fluoro-5-methoxy-4-nitrophenyl)-2-methylpiperidin-3-amine.
What is the SMILES notation for N-(2-fluoro-5-methoxy-4-nitrophenyl)-2-methylpiperidin-3-amine?
The canonical SMILES for N-(2-fluoro-5-methoxy-4-nitrophenyl)-2-methylpiperidin-3-amine is COc1cc(NC2CCCNC2C)c(F)cc1[N+](=O)[O-].
What is the InChIKey of N-(2-fluoro-5-methoxy-4-nitrophenyl)-2-methylpiperidin-3-amine?
The InChIKey is QLHYLWKHXZTQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3/c1-8-10(4-3-5-15-8)16-11-7-13(20-2)12(17(18)19)6-9(11)14/h6-8,10,15-16H,3-5H2,1-2H3.
What are the key properties of N-(2-fluoro-5-methoxy-4-nitrophenyl)-2-methylpiperidin-3-amine?
N-(2-fluoro-5-methoxy-4-nitrophenyl)-2-methylpiperidin-3-amine has a molecular weight of 283.30 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methoxy-4-nitrophenyl)-2-methylpiperidin-3-amine is sourced from PubChem (CID 107260546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).