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

C12H16FN3O2 — CID 106996155

IUPACN-(5-fluoro-2-nitrophenyl)-2-methylpiperidin-4-amine
SMILESCC1CC(Nc2cc(F)ccc2[N+](=O)[O-])CCN1
InChIInChI=1S/C12H16FN3O2/c1-8-6-10(4-5-14-8)15-11-7-9(13)2-3-12(11)16(17)18/h2-3,7-8,10,14-15H,4-6H2,1H3
InChIKeyVGHYYNSRBSQCIQ-UHFFFAOYSA-N
MW253.28 g/mol
LogP2.29
Rot. Bonds3

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

N-(5-fluoro-2-nitrophenyl)-2-methylpiperidin-4-amine (PubChem CID 106996155) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is N-(5-fluoro-2-nitrophenyl)-2-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-nitrophenyl)-2-methylpiperidin-4-amine
PubChem CID106996155
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC NameN-(5-fluoro-2-nitrophenyl)-2-methylpiperidin-4-amine
SMILESCC1CC(Nc2cc(F)ccc2[N+](=O)[O-])CCN1
InChIInChI=1S/C12H16FN3O2/c1-8-6-10(4-5-14-8)15-11-7-9(13)2-3-12(11)16(17)18/h2-3,7-8,10,14-15H,4-6H2,1H3
InChIKeyVGHYYNSRBSQCIQ-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-cyclopentyl-5-fluoro-2-nitroaniline
CID 62376758
N-(3-ethylsulfanylcyclopentyl)-5-fluoro-2-nitroaniline
CID 107302339
5-(5-fluoro-2-nitroanilino)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 18549079
N-methyl-4-[(2-methylpiperidin-4-yl)amino]-3-nitrobenzamide
CID 106995963
N-(5-fluoro-2-nitrophenyl)spiro[4.5]decan-8-amine
CID 114817805
N-(5-fluoro-2-nitrophenyl)-1-propylpiperidin-4-amine
CID 62375924
tert-butyl N-[3-(5-fluoro-2-nitroanilino)cyclohexyl]carbamate
CID 113268191
2,6-difluoro-N-(2-methylpiperidin-4-yl)-3-nitrobenzamide
CID 106995174
2-[(2-methylpiperidin-4-yl)amino]-5-nitrobenzamide
CID 106996191
N-(4-fluoro-2-nitrophenyl)azepan-4-amine
CID 103981106
3-bromo-N-(2-methylpiperidin-4-yl)-4-nitrobenzenesulfonamide
CID 120586161
5-chloro-N-(2-methylpiperidin-4-yl)-2-nitrobenzenesulfonamide
CID 120585645

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-nitrophenyl)-2-methylpiperidin-4-amine?
The IUPAC name of N-(5-fluoro-2-nitrophenyl)-2-methylpiperidin-4-amine (CID 106996155) is N-(5-fluoro-2-nitrophenyl)-2-methylpiperidin-4-amine.
What is the SMILES notation for N-(5-fluoro-2-nitrophenyl)-2-methylpiperidin-4-amine?
The canonical SMILES for N-(5-fluoro-2-nitrophenyl)-2-methylpiperidin-4-amine is CC1CC(Nc2cc(F)ccc2[N+](=O)[O-])CCN1.
What is the InChIKey of N-(5-fluoro-2-nitrophenyl)-2-methylpiperidin-4-amine?
The InChIKey is VGHYYNSRBSQCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-8-6-10(4-5-14-8)15-11-7-9(13)2-3-12(11)16(17)18/h2-3,7-8,10,14-15H,4-6H2,1H3.
What are the key properties of N-(5-fluoro-2-nitrophenyl)-2-methylpiperidin-4-amine?
N-(5-fluoro-2-nitrophenyl)-2-methylpiperidin-4-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-(5-fluoro-2-nitrophenyl)-2-methylpiperidin-4-amine is sourced from PubChem (CID 106996155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).