N-(4-fluoro-5-methyl-2-nitrophenyl)-N-propylpiperidin-3-amine

C15H22FN3O2 — CID 103594171

IUPACN-(4-fluoro-5-methyl-2-nitrophenyl)-N-propylpiperidin-3-amine
SMILESCCCN(c1cc(C)c(F)cc1[N+](=O)[O-])C1CCCNC1
InChIInChI=1S/C15H22FN3O2/c1-3-7-18(12-5-4-6-17-10-12)14-8-11(2)13(16)9-15(14)19(20)21/h8-9,12,17H,3-7,10H2,1-2H3
InChIKeyJEXKMADDWGZQAJ-UHFFFAOYSA-N
MW295.36 g/mol
LogP3.01
Rot. Bonds5

About N-(4-fluoro-5-methyl-2-nitrophenyl)-N-propylpiperidin-3-amine

N-(4-fluoro-5-methyl-2-nitrophenyl)-N-propylpiperidin-3-amine (PubChem CID 103594171) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(4-fluoro-5-methyl-2-nitrophenyl)-N-propylpiperidin-3-amine.

Molecular Properties

Compound NameN-(4-fluoro-5-methyl-2-nitrophenyl)-N-propylpiperidin-3-amine
PubChem CID103594171
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC NameN-(4-fluoro-5-methyl-2-nitrophenyl)-N-propylpiperidin-3-amine
SMILESCCCN(c1cc(C)c(F)cc1[N+](=O)[O-])C1CCCNC1
InChIInChI=1S/C15H22FN3O2/c1-3-7-18(12-5-4-6-17-10-12)14-8-11(2)13(16)9-15(14)19(20)21/h8-9,12,17H,3-7,10H2,1-2H3
InChIKeyJEXKMADDWGZQAJ-UHFFFAOYSA-N
XLogP3.01
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.01
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-5-methyl-2-nitrophenyl)-N-propylpiperidin-3-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

N-(4-methoxy-2-nitrophenyl)-N-propylpiperidin-3-amine
CID 63636836
N-ethyl-N-(4-methyl-2-nitrophenyl)piperidin-3-amine
CID 63636312
N-(2-bromo-4-nitrophenyl)-N-propylpiperidin-3-amine
CID 63637187
5-nitro-2-[piperidin-3-yl(propyl)amino]benzonitrile
CID 63637009
ethyl 2-(N-cyclopropyl-4-fluoro-5-methyl-2-nitroanilino)acetate
CID 103594331
N-(5-bromo-2-nitrophenyl)-N-ethylpiperidin-3-amine
CID 65343726
N-[2-fluoro-4-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine
CID 107303774
4-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 79175870
6-methyl-3-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 81135778
N-ethyl-N-(2-fluoro-5-methoxy-4-nitrophenyl)pyrrolidin-3-amine
CID 107260461
5-nitro-2-[piperidin-3-yl(propyl)amino]pyridine-3-carbonitrile
CID 63636490
N-ethyl-3-nitro-N-piperidin-3-ylpyridin-4-amine
CID 63638439

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-5-methyl-2-nitrophenyl)-N-propylpiperidin-3-amine?
The IUPAC name of N-(4-fluoro-5-methyl-2-nitrophenyl)-N-propylpiperidin-3-amine (CID 103594171) is N-(4-fluoro-5-methyl-2-nitrophenyl)-N-propylpiperidin-3-amine.
What is the SMILES notation for N-(4-fluoro-5-methyl-2-nitrophenyl)-N-propylpiperidin-3-amine?
The canonical SMILES for N-(4-fluoro-5-methyl-2-nitrophenyl)-N-propylpiperidin-3-amine is CCCN(c1cc(C)c(F)cc1[N+](=O)[O-])C1CCCNC1.
What is the InChIKey of N-(4-fluoro-5-methyl-2-nitrophenyl)-N-propylpiperidin-3-amine?
The InChIKey is JEXKMADDWGZQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-3-7-18(12-5-4-6-17-10-12)14-8-11(2)13(16)9-15(14)19(20)21/h8-9,12,17H,3-7,10H2,1-2H3.
What are the key properties of N-(4-fluoro-5-methyl-2-nitrophenyl)-N-propylpiperidin-3-amine?
N-(4-fluoro-5-methyl-2-nitrophenyl)-N-propylpiperidin-3-amine has a molecular weight of 295.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-5-methyl-2-nitrophenyl)-N-propylpiperidin-3-amine is sourced from PubChem (CID 103594171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).