N-ethyl-3-nitro-5-(2-propylpiperidin-1-yl)aniline

C16H25N3O2 — CID 83045065

IUPACN-ethyl-3-nitro-5-(2-propylpiperidin-1-yl)aniline
SMILESCCCC1CCCCN1c1cc(NCC)cc([N+](=O)[O-])c1
InChIInChI=1S/C16H25N3O2/c1-3-7-14-8-5-6-9-18(14)15-10-13(17-4-2)11-16(12-15)19(20)21/h10-12,14,17H,3-9H2,1-2H3
InChIKeyKVTIARMCNMYNGK-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.19
Rot. Bonds6

About N-ethyl-3-nitro-5-(2-propylpiperidin-1-yl)aniline

N-ethyl-3-nitro-5-(2-propylpiperidin-1-yl)aniline (PubChem CID 83045065) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-ethyl-3-nitro-5-(2-propylpiperidin-1-yl)aniline.

Molecular Properties

Compound NameN-ethyl-3-nitro-5-(2-propylpiperidin-1-yl)aniline
PubChem CID83045065
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-ethyl-3-nitro-5-(2-propylpiperidin-1-yl)aniline
SMILESCCCC1CCCCN1c1cc(NCC)cc([N+](=O)[O-])c1
InChIInChI=1S/C16H25N3O2/c1-3-7-14-8-5-6-9-18(14)15-10-13(17-4-2)11-16(12-15)19(20)21/h10-12,14,17H,3-9H2,1-2H3
InChIKeyKVTIARMCNMYNGK-UHFFFAOYSA-N
XLogP4.19
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
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'}

Analyze N-ethyl-3-nitro-5-(2-propylpiperidin-1-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-3-(2-methylpiperidin-1-yl)-5-nitroaniline
CID 80766851
3-(2-methylpyrrolidin-1-yl)-5-nitro-N-propylaniline
CID 80791595
2-[1-(3-methyl-5-nitrophenyl)piperidin-2-yl]ethanamine
CID 112649492
3-(2-ethylpiperidin-1-yl)-5-nitroaniline
CID 80776239
1-[3-(ethylamino)-5-nitrophenyl]piperidin-4-ol
CID 80763699
[1-(3-hydrazinyl-5-nitrophenyl)pyrrolidin-2-yl]methanol
CID 80898618
1-[3-(ethylamino)-5-nitrophenyl]piperidine-4-carboxamide
CID 80729334
8-[3-(ethylamino)-5-nitrophenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80818737
4-[3-(ethylamino)-5-nitrophenyl]-1-methyl-1,4-diazepan-2-one
CID 102887864
3-N-(cyclohexylmethyl)-1-N-ethyl-5-nitrobenzene-1,3-diamine
CID 80783944
5-nitro-2-(2-propylpiperidin-1-yl)benzoic acid
CID 83046618
4-[3-(ethylamino)-5-nitrophenyl]morpholine-3-carboxamide
CID 83099245

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-nitro-5-(2-propylpiperidin-1-yl)aniline?
The IUPAC name of N-ethyl-3-nitro-5-(2-propylpiperidin-1-yl)aniline (CID 83045065) is N-ethyl-3-nitro-5-(2-propylpiperidin-1-yl)aniline.
What is the SMILES notation for N-ethyl-3-nitro-5-(2-propylpiperidin-1-yl)aniline?
The canonical SMILES for N-ethyl-3-nitro-5-(2-propylpiperidin-1-yl)aniline is CCCC1CCCCN1c1cc(NCC)cc([N+](=O)[O-])c1.
What is the InChIKey of N-ethyl-3-nitro-5-(2-propylpiperidin-1-yl)aniline?
The InChIKey is KVTIARMCNMYNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-7-14-8-5-6-9-18(14)15-10-13(17-4-2)11-16(12-15)19(20)21/h10-12,14,17H,3-9H2,1-2H3.
What are the key properties of N-ethyl-3-nitro-5-(2-propylpiperidin-1-yl)aniline?
N-ethyl-3-nitro-5-(2-propylpiperidin-1-yl)aniline has a molecular weight of 291.39 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-nitro-5-(2-propylpiperidin-1-yl)aniline is sourced from PubChem (CID 83045065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).