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

C14H22N4O2 — CID 103353516

IUPAC[4-ethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine
SMILESCCC1CCN(c2cc(C)c([N+](=O)[O-])cn2)C(CN)C1
InChIInChI=1S/C14H22N4O2/c1-3-11-4-5-17(12(7-11)8-15)14-6-10(2)13(9-16-14)18(19)20/h6,9,11-12H,3-5,7-8,15H2,1-2H3
InChIKeyJRBFRSCSWLCDPZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.25
Rot. Bonds4

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

[4-ethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine (PubChem CID 103353516) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [4-ethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine
PubChem CID103353516
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name[4-ethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine
SMILESCCC1CCN(c2cc(C)c([N+](=O)[O-])cn2)C(CN)C1
InChIInChI=1S/C14H22N4O2/c1-3-11-4-5-17(12(7-11)8-15)14-6-10(2)13(9-16-14)18(19)20/h6,9,11-12H,3-5,7-8,15H2,1-2H3
InChIKeyJRBFRSCSWLCDPZ-UHFFFAOYSA-N
XLogP2.25
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.25
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-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanamine
CID 79177007
[4-ethyl-1-(5-methyl-2-nitrophenyl)piperidin-2-yl]methanamine
CID 103353489
[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-2-yl]methanamine
CID 83271828
4-(aminomethyl)-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one
CID 168659758
[4-methyl-1-(5-methyl-4-nitro-2-pyridinyl)piperazin-2-yl]methanamine
CID 83271655
[1-(5-bromo-2-nitrophenyl)-4-ethylpiperidin-2-yl]methanamine
CID 103353763
[4-ethyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]methanamine
CID 103353715
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-nitropyridine-3-carbonitrile
CID 103353691
1-[1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanamine
CID 103976623
ethyl 1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 79176555
[1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperidin-2-yl]methanamine
CID 107875205
1-ethylsulfonyl-4-(4-methyl-5-nitro-2-pyridinyl)piperazine
CID 133343061

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine?
The IUPAC name of [4-ethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine (CID 103353516) is [4-ethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [4-ethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine?
The canonical SMILES for [4-ethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine is CCC1CCN(c2cc(C)c([N+](=O)[O-])cn2)C(CN)C1.
What is the InChIKey of [4-ethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine?
The InChIKey is JRBFRSCSWLCDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-11-4-5-17(12(7-11)8-15)14-6-10(2)13(9-16-14)18(19)20/h6,9,11-12H,3-5,7-8,15H2,1-2H3.
What are the key properties of [4-ethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine?
[4-ethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine has a molecular weight of 278.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 103353516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).