3-nitro-2-[3-[(3R)-piperidin-3-yl]propoxy]pyridine

C13H19N3O3 — CID 97177823

IUPAC3-nitro-2-[3-[(3R)-piperidin-3-yl]propoxy]pyridine
SMILESO=[N+]([O-])c1cccnc1OCCC[C@H]1CCCNC1
InChIInChI=1S/C13H19N3O3/c17-16(18)12-6-2-8-15-13(12)19-9-3-5-11-4-1-7-14-10-11/h2,6,8,11,14H,1,3-5,7,9-10H2/t11-/m1/s1
InChIKeyMOJHRJNOFOPMKO-LLVKDONJSA-N
MW265.31 g/mol
LogP2.15
Rot. Bonds6

About 3-nitro-2-[3-[(3R)-piperidin-3-yl]propoxy]pyridine

3-nitro-2-[3-[(3R)-piperidin-3-yl]propoxy]pyridine (PubChem CID 97177823) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-nitro-2-[3-[(3R)-piperidin-3-yl]propoxy]pyridine.

Molecular Properties

Compound Name3-nitro-2-[3-[(3R)-piperidin-3-yl]propoxy]pyridine
PubChem CID97177823
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-nitro-2-[3-[(3R)-piperidin-3-yl]propoxy]pyridine
SMILESO=[N+]([O-])c1cccnc1OCCC[C@H]1CCCNC1
InChIInChI=1S/C13H19N3O3/c17-16(18)12-6-2-8-15-13(12)19-9-3-5-11-4-1-7-14-10-11/h2,6,8,11,14H,1,3-5,7,9-10H2/t11-/m1/s1
InChIKeyMOJHRJNOFOPMKO-LLVKDONJSA-N
XLogP2.15
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-nitro-2-[3-[(3R)-piperidin-3-yl]propoxy]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-nitro-2-(2-pyrrolidin-2-ylethoxy)pyridine
CID 71144755
N-methyl-3-nitro-N-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine
CID 97164455
3-nitro-2-(2-piperidin-3-ylethoxy)pyridine-4-carbonitrile
CID 82812623
3-nitro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 53255983
3-nitro-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106643160
(3S)-3-[2-(4-nitrophenoxy)ethyl]piperidine
CID 86321527
2-methoxy-3-[3-[(3S)-piperidin-3-yl]propoxy]quinoxaline
CID 97164923
2-(3-piperidin-3-ylpropoxy)-1-pyridin-2-ylethanone;hydrochloride
CID 71645321
3-[2-(3-chloro-4-nitrophenoxy)ethyl]piperidine
CID 62356879
3-[2-(5-chloro-2-nitrophenoxy)ethyl]piperidine
CID 62357045
4-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine
CID 79176653
7-nitro-4-(2-piperidin-3-ylethoxy)-2,1,3-benzoxadiazole
CID 62358034

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-[3-[(3R)-piperidin-3-yl]propoxy]pyridine?
The IUPAC name of 3-nitro-2-[3-[(3R)-piperidin-3-yl]propoxy]pyridine (CID 97177823) is 3-nitro-2-[3-[(3R)-piperidin-3-yl]propoxy]pyridine.
What is the SMILES notation for 3-nitro-2-[3-[(3R)-piperidin-3-yl]propoxy]pyridine?
The canonical SMILES for 3-nitro-2-[3-[(3R)-piperidin-3-yl]propoxy]pyridine is O=[N+]([O-])c1cccnc1OCCC[C@H]1CCCNC1.
What is the InChIKey of 3-nitro-2-[3-[(3R)-piperidin-3-yl]propoxy]pyridine?
The InChIKey is MOJHRJNOFOPMKO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-16(18)12-6-2-8-15-13(12)19-9-3-5-11-4-1-7-14-10-11/h2,6,8,11,14H,1,3-5,7,9-10H2/t11-/m1/s1.
What are the key properties of 3-nitro-2-[3-[(3R)-piperidin-3-yl]propoxy]pyridine?
3-nitro-2-[3-[(3R)-piperidin-3-yl]propoxy]pyridine has a molecular weight of 265.31 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-[3-[(3R)-piperidin-3-yl]propoxy]pyridine is sourced from PubChem (CID 97177823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).