N-(4-fluoro-3-nitrophenyl)-1-propan-2-ylpiperidin-4-amine

C14H20FN3O2 — CID 43719255

IUPACN-(4-fluoro-3-nitrophenyl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(Nc2ccc(F)c([N+](=O)[O-])c2)CC1
InChIInChI=1S/C14H20FN3O2/c1-10(2)17-7-5-11(6-8-17)16-12-3-4-13(15)14(9-12)18(19)20/h3-4,9-11,16H,5-8H2,1-2H3
InChIKeyZRFUECIERICHMF-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.02
Rot. Bonds4

About N-(4-fluoro-3-nitrophenyl)-1-propan-2-ylpiperidin-4-amine

N-(4-fluoro-3-nitrophenyl)-1-propan-2-ylpiperidin-4-amine (PubChem CID 43719255) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-1-propan-2-ylpiperidin-4-amine
PubChem CID43719255
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC NameN-(4-fluoro-3-nitrophenyl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(Nc2ccc(F)c([N+](=O)[O-])c2)CC1
InChIInChI=1S/C14H20FN3O2/c1-10(2)17-7-5-11(6-8-17)16-12-3-4-13(15)14(9-12)18(19)20/h3-4,9-11,16H,5-8H2,1-2H3
InChIKeyZRFUECIERICHMF-UHFFFAOYSA-N
XLogP3.02
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.02
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'}

Analyze N-(4-fluoro-3-nitrophenyl)-1-propan-2-ylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-(4-fluoro-3-nitrophenyl)piperidin-4-amine
CID 43719257
4-(4-fluoro-3-nitroanilino)piperidine-1-carboxamide
CID 43785719
N-(4-fluoro-3-nitrophenyl)-1,1-dioxothian-4-amine
CID 43719371
N-(4-fluoro-3-nitrophenyl)thian-4-amine
CID 43719372
N-(4-bromo-3-fluorophenyl)-1-propan-2-ylpiperidin-4-amine
CID 65432364
N-(2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43222290
tert-butyl 4-(4-fluoro-3-nitroanilino)azepane-1-carboxylate
CID 113361471
N-(4-fluoro-3-nitrophenyl)-1,1-dioxothiolan-3-amine
CID 60708678
N-(4-bromo-2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43222294
N-(4-fluoro-3-nitrophenyl)-4-propylcycloheptan-1-amine
CID 65086819
N-[4-(difluoromethoxy)-3-fluorophenyl]-1-propan-2-ylpiperidin-4-amine
CID 60942481
N-(4-bromo-2-nitrophenyl)-1-propan-2-ylazepan-4-amine
CID 65073262

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-1-propan-2-ylpiperidin-4-amine (CID 43719255) is N-(4-fluoro-3-nitrophenyl)-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(Nc2ccc(F)c([N+](=O)[O-])c2)CC1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-1-propan-2-ylpiperidin-4-amine?
The InChIKey is ZRFUECIERICHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-10(2)17-7-5-11(6-8-17)16-12-3-4-13(15)14(9-12)18(19)20/h3-4,9-11,16H,5-8H2,1-2H3.
What are the key properties of N-(4-fluoro-3-nitrophenyl)-1-propan-2-ylpiperidin-4-amine?
N-(4-fluoro-3-nitrophenyl)-1-propan-2-ylpiperidin-4-amine has a molecular weight of 281.33 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 43719255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).