3-ethyl-1-(4-nitrophenyl)piperidin-4-amine

C13H19N3O2 — CID 81459759

IUPAC3-ethyl-1-(4-nitrophenyl)piperidin-4-amine
SMILESCCC1CN(c2ccc([N+](=O)[O-])cc2)CCC1N
InChIInChI=1S/C13H19N3O2/c1-2-10-9-15(8-7-13(10)14)11-3-5-12(6-4-11)16(17)18/h3-6,10,13H,2,7-9,14H2,1H3
InChIKeyYWCMFIJLSRUQPM-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.16
Rot. Bonds3

About 3-ethyl-1-(4-nitrophenyl)piperidin-4-amine

3-ethyl-1-(4-nitrophenyl)piperidin-4-amine (PubChem CID 81459759) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-ethyl-1-(4-nitrophenyl)piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-(4-nitrophenyl)piperidin-4-amine
PubChem CID81459759
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-ethyl-1-(4-nitrophenyl)piperidin-4-amine
SMILESCCC1CN(c2ccc([N+](=O)[O-])cc2)CCC1N
InChIInChI=1S/C13H19N3O2/c1-2-10-9-15(8-7-13(10)14)11-3-5-12(6-4-11)16(17)18/h3-6,10,13H,2,7-9,14H2,1H3
InChIKeyYWCMFIJLSRUQPM-UHFFFAOYSA-N
XLogP2.16
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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

3-ethyl-1-(4-nitro-2-pyridinyl)piperidin-4-amine
CID 81460791
1-(4-nitrophenyl)piperidin-4-amine
CID 12050747
3-ethyl-1-(6-nitro-1H-benzimidazol-2-yl)piperidin-4-amine
CID 81452206
1-(4-nitrophenyl)pyrrolidine-3-carboxylic acid
CID 63032721
1-(4-bromo-2-nitrophenyl)-3-ethylpiperidin-4-amine
CID 81459176
[1-(4-nitrophenyl)pyrrolidin-3-yl]methanol
CID 62370454
(2S)-2-ethyl-4-(4-nitrophenyl)morpholine
CID 95151191
1-(4-nitrophenyl)-4-propylazepane
CID 163444919
N-[1-(4-nitrophenyl)pyrrolidin-3-yl]propanamide
CID 91082159
(3R)-3-methyl-1-(4-nitrophenyl)piperidine
CID 7212381
3-ethoxy-1-(4-nitrophenyl)piperidine
CID 75917775
3-ethyl-1-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-amine
CID 81459609

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-nitrophenyl)piperidin-4-amine?
The IUPAC name of 3-ethyl-1-(4-nitrophenyl)piperidin-4-amine (CID 81459759) is 3-ethyl-1-(4-nitrophenyl)piperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-(4-nitrophenyl)piperidin-4-amine?
The canonical SMILES for 3-ethyl-1-(4-nitrophenyl)piperidin-4-amine is CCC1CN(c2ccc([N+](=O)[O-])cc2)CCC1N.
What is the InChIKey of 3-ethyl-1-(4-nitrophenyl)piperidin-4-amine?
The InChIKey is YWCMFIJLSRUQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-10-9-15(8-7-13(10)14)11-3-5-12(6-4-11)16(17)18/h3-6,10,13H,2,7-9,14H2,1H3.
What are the key properties of 3-ethyl-1-(4-nitrophenyl)piperidin-4-amine?
3-ethyl-1-(4-nitrophenyl)piperidin-4-amine has a molecular weight of 249.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-nitrophenyl)piperidin-4-amine is sourced from PubChem (CID 81459759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).