1-(2-fluoro-5-methoxy-4-nitrophenyl)-3-methylpiperidin-4-amine

C13H18FN3O3 — CID 107260510

IUPAC1-(2-fluoro-5-methoxy-4-nitrophenyl)-3-methylpiperidin-4-amine
SMILESCOc1cc(N2CCC(N)C(C)C2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H18FN3O3/c1-8-7-16(4-3-10(8)15)11-6-13(20-2)12(17(18)19)5-9(11)14/h5-6,8,10H,3-4,7,15H2,1-2H3
InChIKeyATNXFGGYISPWNQ-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.92
Rot. Bonds3

About 1-(2-fluoro-5-methoxy-4-nitrophenyl)-3-methylpiperidin-4-amine

1-(2-fluoro-5-methoxy-4-nitrophenyl)-3-methylpiperidin-4-amine (PubChem CID 107260510) has the molecular formula C13H18FN3O3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 1-(2-fluoro-5-methoxy-4-nitrophenyl)-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-fluoro-5-methoxy-4-nitrophenyl)-3-methylpiperidin-4-amine
PubChem CID107260510
Molecular FormulaC13H18FN3O3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name1-(2-fluoro-5-methoxy-4-nitrophenyl)-3-methylpiperidin-4-amine
SMILESCOc1cc(N2CCC(N)C(C)C2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H18FN3O3/c1-8-7-16(4-3-10(8)15)11-6-13(20-2)12(17(18)19)5-9(11)14/h5-6,8,10H,3-4,7,15H2,1-2H3
InChIKeyATNXFGGYISPWNQ-UHFFFAOYSA-N
XLogP1.92
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.92
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'}

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Related Compounds

1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-4-amine
CID 107260420
(3R)-1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-3-amine
CID 107260557
1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpiperidin-4-amine
CID 103594229
1-(2-fluoro-5-methoxy-4-nitrophenyl)-N-methylpyrrolidin-3-amine
CID 107260518
4-(2-fluoro-5-methoxy-4-nitrophenyl)-2-methyl-1,4-thiazinane 1,1-dioxide
CID 133474527
[1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-3-yl]methanamine
CID 107260440
1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine
CID 63598851
[1-(2-fluoro-5-methoxy-4-nitrophenyl)-6-methylpiperidin-3-yl]methanamine
CID 107260481
1-[1-(4-fluoro-5-methoxy-2-nitrophenyl)pyrrolidin-3-yl]ethanamine
CID 103976874
1-(5-bromo-2-nitrophenyl)-3-methylpiperidin-4-amine
CID 79867412
2-[1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-2-yl]ethanamine
CID 107260476
[1-(2-fluoro-5-methoxy-4-nitrophenyl)-5-methylpyrrolidin-3-yl]methanamine
CID 107260534

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methoxy-4-nitrophenyl)-3-methylpiperidin-4-amine?
The IUPAC name of 1-(2-fluoro-5-methoxy-4-nitrophenyl)-3-methylpiperidin-4-amine (CID 107260510) is 1-(2-fluoro-5-methoxy-4-nitrophenyl)-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-(2-fluoro-5-methoxy-4-nitrophenyl)-3-methylpiperidin-4-amine?
The canonical SMILES for 1-(2-fluoro-5-methoxy-4-nitrophenyl)-3-methylpiperidin-4-amine is COc1cc(N2CCC(N)C(C)C2)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 1-(2-fluoro-5-methoxy-4-nitrophenyl)-3-methylpiperidin-4-amine?
The InChIKey is ATNXFGGYISPWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3/c1-8-7-16(4-3-10(8)15)11-6-13(20-2)12(17(18)19)5-9(11)14/h5-6,8,10H,3-4,7,15H2,1-2H3.
What are the key properties of 1-(2-fluoro-5-methoxy-4-nitrophenyl)-3-methylpiperidin-4-amine?
1-(2-fluoro-5-methoxy-4-nitrophenyl)-3-methylpiperidin-4-amine has a molecular weight of 283.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methoxy-4-nitrophenyl)-3-methylpiperidin-4-amine is sourced from PubChem (CID 107260510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).