1-ethyl-N-[1-(2-nitrophenyl)ethyl]piperidin-4-amine

C15H23N3O2 — CID 61039638

IUPAC1-ethyl-N-[1-(2-nitrophenyl)ethyl]piperidin-4-amine
SMILESCCN1CCC(NC(C)c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C15H23N3O2/c1-3-17-10-8-13(9-11-17)16-12(2)14-6-4-5-7-15(14)18(19)20/h4-7,12-13,16H,3,8-11H2,1-2H3
InChIKeyXWSFDMVPPNUKOH-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.73
Rot. Bonds5

About 1-ethyl-N-[1-(2-nitrophenyl)ethyl]piperidin-4-amine

1-ethyl-N-[1-(2-nitrophenyl)ethyl]piperidin-4-amine (PubChem CID 61039638) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-ethyl-N-[1-(2-nitrophenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[1-(2-nitrophenyl)ethyl]piperidin-4-amine
PubChem CID61039638
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-ethyl-N-[1-(2-nitrophenyl)ethyl]piperidin-4-amine
SMILESCCN1CCC(NC(C)c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C15H23N3O2/c1-3-17-10-8-13(9-11-17)16-12(2)14-6-4-5-7-15(14)18(19)20/h4-7,12-13,16H,3,8-11H2,1-2H3
InChIKeyXWSFDMVPPNUKOH-UHFFFAOYSA-N
XLogP2.73
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.73
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'}

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Related Compounds

4-[1-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxamide
CID 43748840
3-[1-(2-nitrophenyl)ethylamino]cyclohexan-1-ol
CID 43751277
N-[1-(2-nitrophenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752333
(1S)-1-cyclopentyl-N-[1-(2-nitrophenyl)ethyl]ethanamine
CID 81385572
[2-[1-(2-nitrophenyl)ethylamino]cyclopentyl]methanol
CID 103717133
N-(cyclobutylmethyl)-1-(2-nitrophenyl)ethanamine
CID 43298232
2-[1-(2-nitrophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 115663609
N-[(2-ethylphenyl)methyl]-1-(2-nitrophenyl)ethanamine
CID 64681766
N-[2-(4-ethylpiperazin-1-yl)propyl]-2-nitroaniline
CID 60505922
1-[1-(2-nitrophenyl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122009042
N-[1-(2-nitrophenyl)ethyl]propan-2-amine
CID 43147503
1-ethyl-3-(2-nitrophenoxy)pyrrolidine
CID 68790701

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-(2-nitrophenyl)ethyl]piperidin-4-amine?
The IUPAC name of 1-ethyl-N-[1-(2-nitrophenyl)ethyl]piperidin-4-amine (CID 61039638) is 1-ethyl-N-[1-(2-nitrophenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-[1-(2-nitrophenyl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-ethyl-N-[1-(2-nitrophenyl)ethyl]piperidin-4-amine is CCN1CCC(NC(C)c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of 1-ethyl-N-[1-(2-nitrophenyl)ethyl]piperidin-4-amine?
The InChIKey is XWSFDMVPPNUKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-17-10-8-13(9-11-17)16-12(2)14-6-4-5-7-15(14)18(19)20/h4-7,12-13,16H,3,8-11H2,1-2H3.
What are the key properties of 1-ethyl-N-[1-(2-nitrophenyl)ethyl]piperidin-4-amine?
1-ethyl-N-[1-(2-nitrophenyl)ethyl]piperidin-4-amine has a molecular weight of 277.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-(2-nitrophenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 61039638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).