2-(1-methylpiperidin-4-yl)-4-nitropyridine

C11H15N3O2 — CID 69275543

IUPAC2-(1-methylpiperidin-4-yl)-4-nitropyridine
SMILESCN1CCC(c2cc([N+](=O)[O-])ccn2)CC1
InChIInChI=1S/C11H15N3O2/c1-13-6-3-9(4-7-13)11-8-10(14(15)16)2-5-12-11/h2,5,8-9H,3-4,6-7H2,1H3
InChIKeyBSLIMYPPJQVLMG-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.80
Rot. Bonds2

About 2-(1-methylpiperidin-4-yl)-4-nitropyridine

2-(1-methylpiperidin-4-yl)-4-nitropyridine (PubChem CID 69275543) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-4-nitropyridine.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-4-nitropyridine
PubChem CID69275543
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-(1-methylpiperidin-4-yl)-4-nitropyridine
SMILESCN1CCC(c2cc([N+](=O)[O-])ccn2)CC1
InChIInChI=1S/C11H15N3O2/c1-13-6-3-9(4-7-13)11-8-10(14(15)16)2-5-12-11/h2,5,8-9H,3-4,6-7H2,1H3
InChIKeyBSLIMYPPJQVLMG-UHFFFAOYSA-N
XLogP1.80
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.80
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-4-nitropyridine?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-4-nitropyridine (CID 69275543) is 2-(1-methylpiperidin-4-yl)-4-nitropyridine.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-4-nitropyridine?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-4-nitropyridine is CN1CCC(c2cc([N+](=O)[O-])ccn2)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-4-nitropyridine?
The InChIKey is BSLIMYPPJQVLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-13-6-3-9(4-7-13)11-8-10(14(15)16)2-5-12-11/h2,5,8-9H,3-4,6-7H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)-4-nitropyridine?
2-(1-methylpiperidin-4-yl)-4-nitropyridine has a molecular weight of 221.26 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-4-nitropyridine is sourced from PubChem (CID 69275543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).