3-ethyl-1-(4-nitro-2-pyridinyl)piperidin-4-amine

C12H18N4O2 — CID 81460791

IUPAC3-ethyl-1-(4-nitro-2-pyridinyl)piperidin-4-amine
SMILESCCC1CN(c2cc([N+](=O)[O-])ccn2)CCC1N
InChIInChI=1S/C12H18N4O2/c1-2-9-8-15(6-4-11(9)13)12-7-10(16(17)18)3-5-14-12/h3,5,7,9,11H,2,4,6,8,13H2,1H3
InChIKeyGYAXWQKQYFVIEX-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.55
Rot. Bonds3

About 3-ethyl-1-(4-nitro-2-pyridinyl)piperidin-4-amine

3-ethyl-1-(4-nitro-2-pyridinyl)piperidin-4-amine (PubChem CID 81460791) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-ethyl-1-(4-nitro-2-pyridinyl)piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-(4-nitro-2-pyridinyl)piperidin-4-amine
PubChem CID81460791
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-ethyl-1-(4-nitro-2-pyridinyl)piperidin-4-amine
SMILESCCC1CN(c2cc([N+](=O)[O-])ccn2)CCC1N
InChIInChI=1S/C12H18N4O2/c1-2-9-8-15(6-4-11(9)13)12-7-10(16(17)18)3-5-14-12/h3,5,7,9,11H,2,4,6,8,13H2,1H3
InChIKeyGYAXWQKQYFVIEX-UHFFFAOYSA-N
XLogP1.55
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.55
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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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-nitro-2-pyridinyl)piperidin-4-amine?
The IUPAC name of 3-ethyl-1-(4-nitro-2-pyridinyl)piperidin-4-amine (CID 81460791) is 3-ethyl-1-(4-nitro-2-pyridinyl)piperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-(4-nitro-2-pyridinyl)piperidin-4-amine?
The canonical SMILES for 3-ethyl-1-(4-nitro-2-pyridinyl)piperidin-4-amine is CCC1CN(c2cc([N+](=O)[O-])ccn2)CCC1N.
What is the InChIKey of 3-ethyl-1-(4-nitro-2-pyridinyl)piperidin-4-amine?
The InChIKey is GYAXWQKQYFVIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-9-8-15(6-4-11(9)13)12-7-10(16(17)18)3-5-14-12/h3,5,7,9,11H,2,4,6,8,13H2,1H3.
What are the key properties of 3-ethyl-1-(4-nitro-2-pyridinyl)piperidin-4-amine?
3-ethyl-1-(4-nitro-2-pyridinyl)piperidin-4-amine has a molecular weight of 250.30 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-nitro-2-pyridinyl)piperidin-4-amine is sourced from PubChem (CID 81460791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).