[4-ethyl-1-(5-methyl-2-nitrophenyl)piperidin-2-yl]methanamine

C15H23N3O2 — CID 103353489

IUPAC[4-ethyl-1-(5-methyl-2-nitrophenyl)piperidin-2-yl]methanamine
SMILESCCC1CCN(c2cc(C)ccc2[N+](=O)[O-])C(CN)C1
InChIInChI=1S/C15H23N3O2/c1-3-12-6-7-17(13(9-12)10-16)15-8-11(2)4-5-14(15)18(19)20/h4-5,8,12-13H,3,6-7,9-10,16H2,1-2H3
InChIKeyJZLRZTKDVZBWAM-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.86
Rot. Bonds4

About [4-ethyl-1-(5-methyl-2-nitrophenyl)piperidin-2-yl]methanamine

[4-ethyl-1-(5-methyl-2-nitrophenyl)piperidin-2-yl]methanamine (PubChem CID 103353489) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is [4-ethyl-1-(5-methyl-2-nitrophenyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-1-(5-methyl-2-nitrophenyl)piperidin-2-yl]methanamine
PubChem CID103353489
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name[4-ethyl-1-(5-methyl-2-nitrophenyl)piperidin-2-yl]methanamine
SMILESCCC1CCN(c2cc(C)ccc2[N+](=O)[O-])C(CN)C1
InChIInChI=1S/C15H23N3O2/c1-3-12-6-7-17(13(9-12)10-16)15-8-11(2)4-5-14(15)18(19)20/h4-5,8,12-13H,3,6-7,9-10,16H2,1-2H3
InChIKeyJZLRZTKDVZBWAM-UHFFFAOYSA-N
XLogP2.86
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.86
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

[1-(5-bromo-2-nitrophenyl)-4-ethylpiperidin-2-yl]methanamine
CID 103353763
[4-methyl-1-(5-methyl-2-nitrophenyl)piperidin-2-yl]methanamine
CID 103442230
[4-methyl-1-(5-methyl-2-nitrophenyl)piperazin-2-yl]methanamine
CID 80506472
[4-ethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine
CID 103353516
2-methyl-1-(5-methyl-2-nitrophenyl)piperidin-4-amine
CID 113284668
3-[2-(aminomethyl)-4-methylpiperidin-1-yl]-4-nitrobenzamide
CID 103442356
1-(5-methyl-2-nitrophenyl)piperidin-4-amine
CID 71063718
1-(5-bromo-2-nitrophenyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427647
[1-(5-methoxy-2-nitrophenyl)-4-methylpiperazin-2-yl]methanamine
CID 80506517
[1-(5-chloro-2-nitrophenyl)pyrrolidin-2-yl]methanamine
CID 115471938
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]benzamide
CID 103353540
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-nitropyridine-3-carbonitrile
CID 103353691

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-1-(5-methyl-2-nitrophenyl)piperidin-2-yl]methanamine?
The IUPAC name of [4-ethyl-1-(5-methyl-2-nitrophenyl)piperidin-2-yl]methanamine (CID 103353489) is [4-ethyl-1-(5-methyl-2-nitrophenyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [4-ethyl-1-(5-methyl-2-nitrophenyl)piperidin-2-yl]methanamine?
The canonical SMILES for [4-ethyl-1-(5-methyl-2-nitrophenyl)piperidin-2-yl]methanamine is CCC1CCN(c2cc(C)ccc2[N+](=O)[O-])C(CN)C1.
What is the InChIKey of [4-ethyl-1-(5-methyl-2-nitrophenyl)piperidin-2-yl]methanamine?
The InChIKey is JZLRZTKDVZBWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-12-6-7-17(13(9-12)10-16)15-8-11(2)4-5-14(15)18(19)20/h4-5,8,12-13H,3,6-7,9-10,16H2,1-2H3.
What are the key properties of [4-ethyl-1-(5-methyl-2-nitrophenyl)piperidin-2-yl]methanamine?
[4-ethyl-1-(5-methyl-2-nitrophenyl)piperidin-2-yl]methanamine has a molecular weight of 277.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-1-(5-methyl-2-nitrophenyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 103353489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).