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

C12H16FN3O2 — CID 114695569

IUPACN-(4-fluoro-2-nitrophenyl)-2-methylpiperidin-3-amine
SMILESCC1NCCCC1Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C12H16FN3O2/c1-8-10(3-2-6-14-8)15-11-5-4-9(13)7-12(11)16(17)18/h4-5,7-8,10,14-15H,2-3,6H2,1H3
InChIKeyAMIUXDRKQWYQMF-UHFFFAOYSA-N
MW253.28 g/mol
LogP2.29
Rot. Bonds3

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

N-(4-fluoro-2-nitrophenyl)-2-methylpiperidin-3-amine (PubChem CID 114695569) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is N-(4-fluoro-2-nitrophenyl)-2-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-nitrophenyl)-2-methylpiperidin-3-amine
PubChem CID114695569
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC NameN-(4-fluoro-2-nitrophenyl)-2-methylpiperidin-3-amine
SMILESCC1NCCCC1Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C12H16FN3O2/c1-8-10(3-2-6-14-8)15-11-5-4-9(13)7-12(11)16(17)18/h4-5,7-8,10,14-15H,2-3,6H2,1H3
InChIKeyAMIUXDRKQWYQMF-UHFFFAOYSA-N
XLogP2.29
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 52.29
H-Bond Donors ≤ 52
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

N-(5-bromo-4-fluoro-2-nitrophenyl)-2-methylpiperidin-3-amine
CID 114695324
N-(2-fluoro-5-methoxy-4-nitrophenyl)-2-methylpiperidin-3-amine
CID 107260546
N-(4-fluoro-2-nitrophenyl)azepan-4-amine
CID 103981106
N-[2-(difluoromethyl)-4-nitrophenyl]-2-methylpiperidin-3-amine
CID 114695531
N-cyclohexyl-4-fluoro-2-nitroaniline
CID 12793832
N-(4-fluoro-2-nitrophenyl)-2-pyrrolidin-2-ylacetamide
CID 61366590
4-fluoro-2-nitro-N-(2-propylcyclopropyl)aniline
CID 113245630
4-fluoro-N-(2-methylpiperidin-3-yl)-3-nitrobenzenesulfonamide
CID 114695261
N-(4-fluoro-2-nitrophenyl)-4,4-dimethylcycloheptan-1-amine
CID 65083848
N-(2-methylpiperidin-3-yl)-2-nitropyridin-3-amine
CID 114695322
2-methyl-N-(3-methyl-2-nitrophenyl)piperidin-3-amine
CID 114041911
4-fluoro-2-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79535891

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-nitrophenyl)-2-methylpiperidin-3-amine?
The IUPAC name of N-(4-fluoro-2-nitrophenyl)-2-methylpiperidin-3-amine (CID 114695569) is N-(4-fluoro-2-nitrophenyl)-2-methylpiperidin-3-amine.
What is the SMILES notation for N-(4-fluoro-2-nitrophenyl)-2-methylpiperidin-3-amine?
The canonical SMILES for N-(4-fluoro-2-nitrophenyl)-2-methylpiperidin-3-amine is CC1NCCCC1Nc1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-fluoro-2-nitrophenyl)-2-methylpiperidin-3-amine?
The InChIKey is AMIUXDRKQWYQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-8-10(3-2-6-14-8)15-11-5-4-9(13)7-12(11)16(17)18/h4-5,7-8,10,14-15H,2-3,6H2,1H3.
What are the key properties of N-(4-fluoro-2-nitrophenyl)-2-methylpiperidin-3-amine?
N-(4-fluoro-2-nitrophenyl)-2-methylpiperidin-3-amine has a molecular weight of 253.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-nitrophenyl)-2-methylpiperidin-3-amine is sourced from PubChem (CID 114695569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).