3-nitro-5-(2-piperidin-1-ylethoxy)aniline

C13H19N3O3 — CID 80870989

IUPAC3-nitro-5-(2-piperidin-1-ylethoxy)aniline
SMILESNc1cc(OCCN2CCCCC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O3/c14-11-8-12(16(17)18)10-13(9-11)19-7-6-15-4-2-1-3-5-15/h8-10H,1-7,14H2
InChIKeyUKSVXQMFNNAWKX-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.04
Rot. Bonds5

About 3-nitro-5-(2-piperidin-1-ylethoxy)aniline

3-nitro-5-(2-piperidin-1-ylethoxy)aniline (PubChem CID 80870989) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-nitro-5-(2-piperidin-1-ylethoxy)aniline.

Molecular Properties

Compound Name3-nitro-5-(2-piperidin-1-ylethoxy)aniline
PubChem CID80870989
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-nitro-5-(2-piperidin-1-ylethoxy)aniline
SMILESNc1cc(OCCN2CCCCC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O3/c14-11-8-12(16(17)18)10-13(9-11)19-7-6-15-4-2-1-3-5-15/h8-10H,1-7,14H2
InChIKeyUKSVXQMFNNAWKX-UHFFFAOYSA-N
XLogP2.04
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-ethyl-3-nitro-5-(2-piperidin-1-ylethoxy)aniline
CID 80879267
3-but-3-ynoxy-5-nitroaniline
CID 106795604
3-ethoxy-5-(2-pyrrolidin-1-ylethoxy)aniline
CID 80748537
1-[2-(4-nitrophenoxy)ethyl]pyrrolidine;2-pyrrolidin-1-ylethanol
CID 158202191
1-[3-(4-nitrophenoxy)propyl]pyrrolidine
CID 2232563
3-[2-(2-methylpropoxy)ethoxy]-5-nitroaniline
CID 106451411
4-[2-(3-methylsulfonyl-5-nitrophenoxy)ethyl]morpholine
CID 90002077
2-nitro-5-(2-piperidin-1-ylethoxy)benzoic acid
CID 61102111
[5-nitro-2-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 43472931
1-methyl-4-[2-(3-nitrophenoxy)ethyl]piperazine;hydrochloride
CID 2993253
3,5-dichloro-4-(2-piperidin-1-ylethoxy)aniline
CID 106891018
4-nitro-2-(2-piperidin-1-ylethoxycarbonyl)benzoic acid
CID 170219323

Frequently Asked Questions

What is the IUPAC name of 3-nitro-5-(2-piperidin-1-ylethoxy)aniline?
The IUPAC name of 3-nitro-5-(2-piperidin-1-ylethoxy)aniline (CID 80870989) is 3-nitro-5-(2-piperidin-1-ylethoxy)aniline.
What is the SMILES notation for 3-nitro-5-(2-piperidin-1-ylethoxy)aniline?
The canonical SMILES for 3-nitro-5-(2-piperidin-1-ylethoxy)aniline is Nc1cc(OCCN2CCCCC2)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-5-(2-piperidin-1-ylethoxy)aniline?
The InChIKey is UKSVXQMFNNAWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c14-11-8-12(16(17)18)10-13(9-11)19-7-6-15-4-2-1-3-5-15/h8-10H,1-7,14H2.
What are the key properties of 3-nitro-5-(2-piperidin-1-ylethoxy)aniline?
3-nitro-5-(2-piperidin-1-ylethoxy)aniline has a molecular weight of 265.31 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-5-(2-piperidin-1-ylethoxy)aniline is sourced from PubChem (CID 80870989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).