4-chloro-2-nitro-5-piperidin-1-ylaniline

C11H14ClN3O2 — CID 3567990

IUPAC4-chloro-2-nitro-5-piperidin-1-ylaniline
SMILESNc1cc(N2CCCCC2)c(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14ClN3O2/c12-8-6-11(15(16)17)9(13)7-10(8)14-4-2-1-3-5-14/h6-7H,1-5,13H2
InChIKeyAUFZQTVQDNPYAK-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.82
Rot. Bonds2

About 4-chloro-2-nitro-5-piperidin-1-ylaniline

4-chloro-2-nitro-5-piperidin-1-ylaniline (PubChem CID 3567990) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 4-chloro-2-nitro-5-piperidin-1-ylaniline.

Molecular Properties

Compound Name4-chloro-2-nitro-5-piperidin-1-ylaniline
PubChem CID3567990
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name4-chloro-2-nitro-5-piperidin-1-ylaniline
SMILESNc1cc(N2CCCCC2)c(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14ClN3O2/c12-8-6-11(15(16)17)9(13)7-10(8)14-4-2-1-3-5-14/h6-7H,1-5,13H2
InChIKeyAUFZQTVQDNPYAK-UHFFFAOYSA-N
XLogP2.82
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

1-(2-Chloro-4-nitrophenyl)piperazine
CID 2771331
1-(5-Chloro-2-nitrophenyl)piperidine
CID 3096079
4-Chloro-5-morpholino-2-nitroaniline
CID 3779330
1-Chloro-2,4-dimorpholino-5-nitrobenzene
CID 2797445
1-(2-Chloro-4-nitrophenyl)-4-methylpiperazine
CID 2837294
HC Yellow no. 10
CID 3621694
2-((4-Amino-2-chloro-5-nitrophenyl)amino)ethanol
CID 5490271
1,1'-(2-Chloro-4-nitro-1,3-phenylene)dipiperidine
CID 2841163
2-Chloro-5-(4-methyl-1-piperidinyl)-4-nitroaniline
CID 2921571
1-(2-Chloro-5-nitrophenyl)-4-methylpiperazine
CID 673952
4-Chloro-2-nitro-5-(1-pyrrolidinyl)aniline
CID 3613709
1-(4-Chloro-2-nitrophenyl)piperidine
CID 285318

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-nitro-5-piperidin-1-ylaniline?
The IUPAC name of 4-chloro-2-nitro-5-piperidin-1-ylaniline (CID 3567990) is 4-chloro-2-nitro-5-piperidin-1-ylaniline.
What is the SMILES notation for 4-chloro-2-nitro-5-piperidin-1-ylaniline?
The canonical SMILES for 4-chloro-2-nitro-5-piperidin-1-ylaniline is Nc1cc(N2CCCCC2)c(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-2-nitro-5-piperidin-1-ylaniline?
The InChIKey is AUFZQTVQDNPYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c12-8-6-11(15(16)17)9(13)7-10(8)14-4-2-1-3-5-14/h6-7H,1-5,13H2.
What are the key properties of 4-chloro-2-nitro-5-piperidin-1-ylaniline?
4-chloro-2-nitro-5-piperidin-1-ylaniline has a molecular weight of 255.70 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-nitro-5-piperidin-1-ylaniline is sourced from PubChem (CID 3567990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).