4-methyl-5-nitro-2-(piperidin-3-ylmethoxy)pyridine

C12H17N3O3 — CID 79176367

IUPAC4-methyl-5-nitro-2-(piperidin-3-ylmethoxy)pyridine
SMILESCc1cc(OCC2CCCNC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O3/c1-9-5-12(14-7-11(9)15(16)17)18-8-10-3-2-4-13-6-10/h5,7,10,13H,2-4,6,8H2,1H3
InChIKeyHKDXGFPLSLTRSD-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.68
Rot. Bonds4

About 4-methyl-5-nitro-2-(piperidin-3-ylmethoxy)pyridine

4-methyl-5-nitro-2-(piperidin-3-ylmethoxy)pyridine (PubChem CID 79176367) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-methyl-5-nitro-2-(piperidin-3-ylmethoxy)pyridine.

Molecular Properties

Compound Name4-methyl-5-nitro-2-(piperidin-3-ylmethoxy)pyridine
PubChem CID79176367
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name4-methyl-5-nitro-2-(piperidin-3-ylmethoxy)pyridine
SMILESCc1cc(OCC2CCCNC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O3/c1-9-5-12(14-7-11(9)15(16)17)18-8-10-3-2-4-13-6-10/h5,7,10,13H,2-4,6,8H2,1H3
InChIKeyHKDXGFPLSLTRSD-UHFFFAOYSA-N
XLogP1.68
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.68
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

4-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine
CID 79176653
5-methyl-3-nitro-2-(piperidin-3-ylmethoxy)pyridine
CID 66277883
N-cyclopropyl-4-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 106643758
4-methyl-5-nitro-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 79176343
3-[(5-chloro-2-methyl-4-nitrophenoxy)methyl]piperidine
CID 115556271
3-[(3-methyl-4-nitrophenoxy)methyl]pyrrolidine
CID 56830431
3-[(4-bromo-2-nitrophenoxy)methyl]piperidine
CID 55211128
3-[(2-fluoro-5-methoxy-4-nitrophenoxy)methyl]piperidine
CID 107260647
3-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]piperidine
CID 114416727
3-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine
CID 62475730
2-chloro-4-methyl-6-[[(3R)-piperidin-3-yl]methoxy]pyrimidine
CID 97162859
3-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline
CID 55248226

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-nitro-2-(piperidin-3-ylmethoxy)pyridine?
The IUPAC name of 4-methyl-5-nitro-2-(piperidin-3-ylmethoxy)pyridine (CID 79176367) is 4-methyl-5-nitro-2-(piperidin-3-ylmethoxy)pyridine.
What is the SMILES notation for 4-methyl-5-nitro-2-(piperidin-3-ylmethoxy)pyridine?
The canonical SMILES for 4-methyl-5-nitro-2-(piperidin-3-ylmethoxy)pyridine is Cc1cc(OCC2CCCNC2)ncc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-5-nitro-2-(piperidin-3-ylmethoxy)pyridine?
The InChIKey is HKDXGFPLSLTRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-9-5-12(14-7-11(9)15(16)17)18-8-10-3-2-4-13-6-10/h5,7,10,13H,2-4,6,8H2,1H3.
What are the key properties of 4-methyl-5-nitro-2-(piperidin-3-ylmethoxy)pyridine?
4-methyl-5-nitro-2-(piperidin-3-ylmethoxy)pyridine has a molecular weight of 251.29 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-nitro-2-(piperidin-3-ylmethoxy)pyridine is sourced from PubChem (CID 79176367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).