4-fluoro-2-nitro-N-(3-piperidin-4-yloxypropyl)aniline

C14H20FN3O3 — CID 63870853

IUPAC4-fluoro-2-nitro-N-(3-piperidin-4-yloxypropyl)aniline
SMILESO=[N+]([O-])c1cc(F)ccc1NCCCOC1CCNCC1
InChIInChI=1S/C14H20FN3O3/c15-11-2-3-13(14(10-11)18(19)20)17-6-1-9-21-12-4-7-16-8-5-12/h2-3,10,12,16-17H,1,4-9H2
InChIKeyOFIIHIMCHZTJRA-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.30
Rot. Bonds7

About 4-fluoro-2-nitro-N-(3-piperidin-4-yloxypropyl)aniline

4-fluoro-2-nitro-N-(3-piperidin-4-yloxypropyl)aniline (PubChem CID 63870853) has the molecular formula C14H20FN3O3 and a molecular weight of 297.33 g/mol. Its IUPAC name is 4-fluoro-2-nitro-N-(3-piperidin-4-yloxypropyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-nitro-N-(3-piperidin-4-yloxypropyl)aniline
PubChem CID63870853
Molecular FormulaC14H20FN3O3
Molecular Weight297.33 g/mol
Exact Mass297.15
IUPAC Name4-fluoro-2-nitro-N-(3-piperidin-4-yloxypropyl)aniline
SMILESO=[N+]([O-])c1cc(F)ccc1NCCCOC1CCNCC1
InChIInChI=1S/C14H20FN3O3/c15-11-2-3-13(14(10-11)18(19)20)17-6-1-9-21-12-4-7-16-8-5-12/h2-3,10,12,16-17H,1,4-9H2
InChIKeyOFIIHIMCHZTJRA-UHFFFAOYSA-N
XLogP2.30
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-nitro-N-(2-piperidin-4-yloxyethyl)aniline
CID 65343067
5-fluoro-2-(2-piperidin-4-yloxyethylamino)benzonitrile
CID 63869672
N-(2-cyclobutylethyl)-4-fluoro-2-nitroaniline
CID 115690021
N-(4-fluoro-2-nitrophenyl)azepan-4-amine
CID 103981106
1-methyl-4-nitro-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine
CID 103080272
N-[3-(cyclopropylmethoxy)propyl]-5-fluoro-2-nitroaniline
CID 107302309
5-nitro-N-(3-piperidin-4-yloxypropyl)pyrimidin-2-amine
CID 63871178
4-bromo-N-(2-cyclohexyloxyethyl)-2-nitroaniline
CID 63828256
N',N'-diethyl-N-(4-fluoro-2-nitrophenyl)propane-1,3-diamine
CID 115569606
4-(3-cyclohexyloxypropylamino)-N-[2-(dimethylamino)ethyl]-3-nitrobenzenesulfonamide
CID 55393883
4-fluoro-2-nitro-N-[2-(oxan-2-yl)ethyl]aniline
CID 103990759
5-chloro-2-(3-piperidin-4-yloxypropylamino)benzamide
CID 63870017

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-nitro-N-(3-piperidin-4-yloxypropyl)aniline?
The IUPAC name of 4-fluoro-2-nitro-N-(3-piperidin-4-yloxypropyl)aniline (CID 63870853) is 4-fluoro-2-nitro-N-(3-piperidin-4-yloxypropyl)aniline.
What is the SMILES notation for 4-fluoro-2-nitro-N-(3-piperidin-4-yloxypropyl)aniline?
The canonical SMILES for 4-fluoro-2-nitro-N-(3-piperidin-4-yloxypropyl)aniline is O=[N+]([O-])c1cc(F)ccc1NCCCOC1CCNCC1.
What is the InChIKey of 4-fluoro-2-nitro-N-(3-piperidin-4-yloxypropyl)aniline?
The InChIKey is OFIIHIMCHZTJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3/c15-11-2-3-13(14(10-11)18(19)20)17-6-1-9-21-12-4-7-16-8-5-12/h2-3,10,12,16-17H,1,4-9H2.
What are the key properties of 4-fluoro-2-nitro-N-(3-piperidin-4-yloxypropyl)aniline?
4-fluoro-2-nitro-N-(3-piperidin-4-yloxypropyl)aniline has a molecular weight of 297.33 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-nitro-N-(3-piperidin-4-yloxypropyl)aniline is sourced from PubChem (CID 63870853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).