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

C12H16FN3O2 — CID 79994407

IUPAC1-(4-fluoro-2-nitrophenyl)-5-methylpiperidin-3-amine
SMILESCC1CC(N)CN(c2ccc(F)cc2[N+](=O)[O-])C1
InChIInChI=1S/C12H16FN3O2/c1-8-4-10(14)7-15(6-8)11-3-2-9(13)5-12(11)16(17)18/h2-3,5,8,10H,4,6-7,14H2,1H3
InChIKeyFEUZVMLYCBNULP-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.91
Rot. Bonds2

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

1-(4-fluoro-2-nitrophenyl)-5-methylpiperidin-3-amine (PubChem CID 79994407) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is 1-(4-fluoro-2-nitrophenyl)-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-nitrophenyl)-5-methylpiperidin-3-amine
PubChem CID79994407
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name1-(4-fluoro-2-nitrophenyl)-5-methylpiperidin-3-amine
SMILESCC1CC(N)CN(c2ccc(F)cc2[N+](=O)[O-])C1
InChIInChI=1S/C12H16FN3O2/c1-8-4-10(14)7-15(6-8)11-3-2-9(13)5-12(11)16(17)18/h2-3,5,8,10H,4,6-7,14H2,1H3
InChIKeyFEUZVMLYCBNULP-UHFFFAOYSA-N
XLogP1.91
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.91
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-(4-fluoro-2-nitrophenyl)azetidin-3-amine
CID 65249693
(3S,5S)-1-(2,4-dinitrophenyl)-3,5-dimethylpiperidine
CID 7275416
5-methyl-1-[4-nitro-2-(trifluoromethyl)phenyl]piperidin-3-amine
CID 79993039
4-bromo-1-fluoro-2-nitrobenzene;1-(4-bromo-2-nitrophenyl)-3,5-dimethylpiperidine
CID 159465334
(3S,5R)-1-(4-methoxy-2-nitrophenyl)-3,5-dimethylpiperidine
CID 99966439
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-nitrobenzonitrile
CID 40560292
1-(4-bromo-2-nitrophenyl)azetidin-3-amine
CID 65250097
[2-amino-1-(4-fluorophenyl)-2-oxoethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate
CID 43039309
(3-aminopiperidin-1-yl)-[4-(3,5-dimethylpiperidin-1-yl)-3-nitrophenyl]methanone;hydrochloride
CID 119381387
1-(4-fluoro-2-nitrophenyl)piperazine
CID 2737435
4-(4-fluoro-2-nitrophenyl)thiomorpholine
CID 52679103
1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
CID 62067743

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-nitrophenyl)-5-methylpiperidin-3-amine?
The IUPAC name of 1-(4-fluoro-2-nitrophenyl)-5-methylpiperidin-3-amine (CID 79994407) is 1-(4-fluoro-2-nitrophenyl)-5-methylpiperidin-3-amine.
What is the SMILES notation for 1-(4-fluoro-2-nitrophenyl)-5-methylpiperidin-3-amine?
The canonical SMILES for 1-(4-fluoro-2-nitrophenyl)-5-methylpiperidin-3-amine is CC1CC(N)CN(c2ccc(F)cc2[N+](=O)[O-])C1.
What is the InChIKey of 1-(4-fluoro-2-nitrophenyl)-5-methylpiperidin-3-amine?
The InChIKey is FEUZVMLYCBNULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-8-4-10(14)7-15(6-8)11-3-2-9(13)5-12(11)16(17)18/h2-3,5,8,10H,4,6-7,14H2,1H3.
What are the key properties of 1-(4-fluoro-2-nitrophenyl)-5-methylpiperidin-3-amine?
1-(4-fluoro-2-nitrophenyl)-5-methylpiperidin-3-amine has a molecular weight of 253.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-nitrophenyl)-5-methylpiperidin-3-amine is sourced from PubChem (CID 79994407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).