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

C15H23N3O3 — CID 80879267

IUPACN-ethyl-3-nitro-5-(2-piperidin-1-ylethoxy)aniline
SMILESCCNc1cc(OCCN2CCCCC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H23N3O3/c1-2-16-13-10-14(18(19)20)12-15(11-13)21-9-8-17-6-4-3-5-7-17/h10-12,16H,2-9H2,1H3
InChIKeyHEJUVOQWJISEIN-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.89
Rot. Bonds7

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

N-ethyl-3-nitro-5-(2-piperidin-1-ylethoxy)aniline (PubChem CID 80879267) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-ethyl-3-nitro-5-(2-piperidin-1-ylethoxy)aniline.

Molecular Properties

Compound NameN-ethyl-3-nitro-5-(2-piperidin-1-ylethoxy)aniline
PubChem CID80879267
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-ethyl-3-nitro-5-(2-piperidin-1-ylethoxy)aniline
SMILESCCNc1cc(OCCN2CCCCC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H23N3O3/c1-2-16-13-10-14(18(19)20)12-15(11-13)21-9-8-17-6-4-3-5-7-17/h10-12,16H,2-9H2,1H3
InChIKeyHEJUVOQWJISEIN-UHFFFAOYSA-N
XLogP2.89
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-N-ethyl-5-nitro-3-N-(2-piperidin-1-ylethyl)benzene-1,3-diamine
CID 80785577
3-nitro-5-(2-piperidin-1-ylethoxy)aniline
CID 80870989
N-ethyl-3-(2-methylpropoxy)-5-nitroaniline
CID 80860634
N-[(2-methyloxolan-2-yl)methyl]-3-nitro-5-propoxyaniline
CID 80732262
3-(3,5-difluorophenoxy)-N-ethyl-5-nitroaniline
CID 80880134
N-ethyl-3-nitro-5-propan-2-yloxyaniline
CID 80721910
2-[3-nitro-5-(propylamino)phenoxy]ethanol
CID 80860789
N-(2-methoxyethyl)-3-nitro-5-propoxyaniline
CID 80723800
3-N-(cyclohexylmethyl)-1-N-ethyl-5-nitrobenzene-1,3-diamine
CID 80783944
N-cyclobutyl-3-nitro-5-propoxyaniline
CID 80724511
N-[(1-aminocyclobutyl)methyl]-3-ethoxy-5-nitroaniline
CID 103354034
3-nitro-5-propoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]aniline
CID 104973578

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-nitro-5-(2-piperidin-1-ylethoxy)aniline?
The IUPAC name of N-ethyl-3-nitro-5-(2-piperidin-1-ylethoxy)aniline (CID 80879267) is N-ethyl-3-nitro-5-(2-piperidin-1-ylethoxy)aniline.
What is the SMILES notation for N-ethyl-3-nitro-5-(2-piperidin-1-ylethoxy)aniline?
The canonical SMILES for N-ethyl-3-nitro-5-(2-piperidin-1-ylethoxy)aniline is CCNc1cc(OCCN2CCCCC2)cc([N+](=O)[O-])c1.
What is the InChIKey of N-ethyl-3-nitro-5-(2-piperidin-1-ylethoxy)aniline?
The InChIKey is HEJUVOQWJISEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-16-13-10-14(18(19)20)12-15(11-13)21-9-8-17-6-4-3-5-7-17/h10-12,16H,2-9H2,1H3.
What are the key properties of N-ethyl-3-nitro-5-(2-piperidin-1-ylethoxy)aniline?
N-ethyl-3-nitro-5-(2-piperidin-1-ylethoxy)aniline has a molecular weight of 293.37 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-nitro-5-(2-piperidin-1-ylethoxy)aniline is sourced from PubChem (CID 80879267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).