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

C13H18FN3O2 — CID 103594229

IUPAC1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpiperidin-4-amine
SMILESCc1cc(N2CCC(N)C(C)C2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C13H18FN3O2/c1-8-5-12(13(17(18)19)6-10(8)14)16-4-3-11(15)9(2)7-16/h5-6,9,11H,3-4,7,15H2,1-2H3
InChIKeyUJPAYWFZVKCZMI-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.22
Rot. Bonds2

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

1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpiperidin-4-amine (PubChem CID 103594229) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpiperidin-4-amine
PubChem CID103594229
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpiperidin-4-amine
SMILESCc1cc(N2CCC(N)C(C)C2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C13H18FN3O2/c1-8-5-12(13(17(18)19)6-10(8)14)16-4-3-11(15)9(2)7-16/h5-6,9,11H,3-4,7,15H2,1-2H3
InChIKeyUJPAYWFZVKCZMI-UHFFFAOYSA-N
XLogP2.22
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.22
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'}

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Related Compounds

1-(2-fluoro-5-methoxy-4-nitrophenyl)-3-methylpiperidin-4-amine
CID 107260510
[1-(4-fluoro-5-methyl-2-nitrophenyl)pyrrolidin-3-yl]methanamine
CID 103594143
(3R)-1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpiperazine
CID 103594274
[1-(4-fluoro-5-methyl-2-nitrophenyl)piperidin-4-yl]methanamine
CID 103594139
1-(5-bromo-2-nitrophenyl)-3-methylpiperidin-4-amine
CID 79867412
1-[1-(4-fluoro-5-methyl-2-nitrophenyl)piperidin-4-yl]ethanone
CID 103591260
1-[4-(4-fluoro-5-methyl-2-nitrophenyl)morpholin-2-yl]ethanamine
CID 103594251
3-methyl-1-(2-methyl-6-nitrophenyl)piperidin-4-amine
CID 115553937
methyl 1-(4-fluoro-5-methyl-2-nitrophenyl)piperidine-4-carboxylate
CID 103594323
1-(5-bromo-4-fluoro-2-methylphenyl)-3-methylpiperidin-4-amine
CID 107592784
[1-(4-fluoro-5-methyl-2-nitrophenyl)pyrrolidin-2-yl]methanamine
CID 103594248
1-(5-fluoro-4-iodo-2-nitrophenyl)-4-methylpiperidin-3-ol
CID 102959237

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpiperidin-4-amine?
The IUPAC name of 1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpiperidin-4-amine (CID 103594229) is 1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpiperidin-4-amine?
The canonical SMILES for 1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpiperidin-4-amine is Cc1cc(N2CCC(N)C(C)C2)c([N+](=O)[O-])cc1F.
What is the InChIKey of 1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpiperidin-4-amine?
The InChIKey is UJPAYWFZVKCZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-8-5-12(13(17(18)19)6-10(8)14)16-4-3-11(15)9(2)7-16/h5-6,9,11H,3-4,7,15H2,1-2H3.
What are the key properties of 1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpiperidin-4-amine?
1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpiperidin-4-amine has a molecular weight of 267.30 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpiperidin-4-amine is sourced from PubChem (CID 103594229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).