[1-(5-nitro-2-pyridinyl)piperidin-3-yl]methanol

C11H15N3O3 — CID 2859766

IUPAC[1-(5-nitro-2-pyridinyl)piperidin-3-yl]methanol
SMILESO=[N+]([O-])c1ccc(N2CCCC(CO)C2)nc1
InChIInChI=1S/C11H15N3O3/c15-8-9-2-1-5-13(7-9)11-4-3-10(6-12-11)14(16)17/h3-4,6,9,15H,1-2,5,7-8H2
InChIKeyJUHTWNDQTIGHFJ-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.20
Rot. Bonds3

About [1-(5-nitro-2-pyridinyl)piperidin-3-yl]methanol

[1-(5-nitro-2-pyridinyl)piperidin-3-yl]methanol (PubChem CID 2859766) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is [1-(5-nitro-2-pyridinyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(5-nitro-2-pyridinyl)piperidin-3-yl]methanol
PubChem CID2859766
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name[1-(5-nitro-2-pyridinyl)piperidin-3-yl]methanol
SMILESO=[N+]([O-])c1ccc(N2CCCC(CO)C2)nc1
InChIInChI=1S/C11H15N3O3/c15-8-9-2-1-5-13(7-9)11-4-3-10(6-12-11)14(16)17/h3-4,6,9,15H,1-2,5,7-8H2
InChIKeyJUHTWNDQTIGHFJ-UHFFFAOYSA-N
XLogP1.20
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.20
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-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 62371884
N-[[1-(5-nitro-2-pyridinyl)piperidin-3-yl]methyl]methanesulfonamide
CID 42960358
(3R)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide
CID 30994170
ethane;[1-(4-nitrophenyl)piperidin-3-yl]methanol
CID 144806851
2-[3-(hydroxymethyl)piperidin-1-yl]-5-nitropyridine-3-carbonitrile
CID 60677875
[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol
CID 79176830
3-(5-nitro-2-pyridinyl)-3-azabicyclo[3.2.0]heptane
CID 66907896
[1-(5-nitro-1,3-thiazol-2-yl)piperidin-3-yl]methanol
CID 102771576
(3R)-1-(5-nitro-2-pyridinyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 29105207
3-[methyl-[1-(5-nitro-2-pyridinyl)piperidine-3-carbonyl]amino]propanoic acid
CID 82033164
2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-5-nitropyridine
CID 133341964
tert-butyl N-[(3R)-1-(5-nitro-2-pyridinyl)piperidin-3-yl]carbamate
CID 97174007

Frequently Asked Questions

What is the IUPAC name of [1-(5-nitro-2-pyridinyl)piperidin-3-yl]methanol?
The IUPAC name of [1-(5-nitro-2-pyridinyl)piperidin-3-yl]methanol (CID 2859766) is [1-(5-nitro-2-pyridinyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(5-nitro-2-pyridinyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(5-nitro-2-pyridinyl)piperidin-3-yl]methanol is O=[N+]([O-])c1ccc(N2CCCC(CO)C2)nc1.
What is the InChIKey of [1-(5-nitro-2-pyridinyl)piperidin-3-yl]methanol?
The InChIKey is JUHTWNDQTIGHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-8-9-2-1-5-13(7-9)11-4-3-10(6-12-11)14(16)17/h3-4,6,9,15H,1-2,5,7-8H2.
What are the key properties of [1-(5-nitro-2-pyridinyl)piperidin-3-yl]methanol?
[1-(5-nitro-2-pyridinyl)piperidin-3-yl]methanol has a molecular weight of 237.26 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-nitro-2-pyridinyl)piperidin-3-yl]methanol is sourced from PubChem (CID 2859766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).