4-fluoro-2-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline

C14H20FN3O2 — CID 79535891

IUPAC4-fluoro-2-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline
SMILESCC(CC1CCCCN1)Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H20FN3O2/c1-10(8-12-4-2-3-7-16-12)17-13-6-5-11(15)9-14(13)18(19)20/h5-6,9-10,12,16-17H,2-4,7-8H2,1H3
InChIKeyCWAAQUKXRVTCEB-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.07
Rot. Bonds5

About 4-fluoro-2-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline

4-fluoro-2-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline (PubChem CID 79535891) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-fluoro-2-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline.

Molecular Properties

Compound Name4-fluoro-2-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline
PubChem CID79535891
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name4-fluoro-2-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline
SMILESCC(CC1CCCCN1)Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H20FN3O2/c1-10(8-12-4-2-3-7-16-12)17-13-6-5-11(15)9-14(13)18(19)20/h5-6,9-10,12,16-17H,2-4,7-8H2,1H3
InChIKeyCWAAQUKXRVTCEB-UHFFFAOYSA-N
XLogP3.07
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.07
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

4-bromo-2-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79538410
3-nitro-4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenol
CID 79541053
2-methyl-3-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79539824
N-(4-fluoro-2-nitrophenyl)-2-pyrrolidin-2-ylacetamide
CID 61366590
5-chloro-2-methyl-4-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 104667858
4-bromo-3-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79767439
2-methyl-3-nitro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541268
2-bromo-4-nitro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540045
2-chloro-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 107527335
2-bromo-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 107633006
5-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline
CID 62378347
4-bromo-2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549522

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline?
The IUPAC name of 4-fluoro-2-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline (CID 79535891) is 4-fluoro-2-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline.
What is the SMILES notation for 4-fluoro-2-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline?
The canonical SMILES for 4-fluoro-2-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline is CC(CC1CCCCN1)Nc1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of 4-fluoro-2-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline?
The InChIKey is CWAAQUKXRVTCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-10(8-12-4-2-3-7-16-12)17-13-6-5-11(15)9-14(13)18(19)20/h5-6,9-10,12,16-17H,2-4,7-8H2,1H3.
What are the key properties of 4-fluoro-2-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline?
4-fluoro-2-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline has a molecular weight of 281.33 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline is sourced from PubChem (CID 79535891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).