[1-(3-nitro-4-pyridinyl)piperidin-2-yl]methanol

C11H15N3O3 — CID 61146528

IUPAC[1-(3-nitro-4-pyridinyl)piperidin-2-yl]methanol
SMILESO=[N+]([O-])c1cnccc1N1CCCCC1CO
InChIInChI=1S/C11H15N3O3/c15-8-9-3-1-2-6-13(9)10-4-5-12-7-11(10)14(16)17/h4-5,7,9,15H,1-3,6,8H2
InChIKeyCRVOMMAPLHXWBV-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.34
Rot. Bonds3

About [1-(3-nitro-4-pyridinyl)piperidin-2-yl]methanol

[1-(3-nitro-4-pyridinyl)piperidin-2-yl]methanol (PubChem CID 61146528) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is [1-(3-nitro-4-pyridinyl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-nitro-4-pyridinyl)piperidin-2-yl]methanol
PubChem CID61146528
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name[1-(3-nitro-4-pyridinyl)piperidin-2-yl]methanol
SMILESO=[N+]([O-])c1cnccc1N1CCCCC1CO
InChIInChI=1S/C11H15N3O3/c15-8-9-3-1-2-6-13(9)10-4-5-12-7-11(10)14(16)17/h4-5,7,9,15H,1-3,6,8H2
InChIKeyCRVOMMAPLHXWBV-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
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-(3-nitro-4-pyridinyl)piperidine-2-carboxylic acid
CID 43114074
1-(3-nitro-4-pyridinyl)pyrrolidine-2-carboxylic acid
CID 43114072
[1-[3-(hydroxymethyl)-4-pyridinyl]azepan-2-yl]methanol
CID 116637094
4-[2-(hydroxymethyl)piperidin-1-yl]-3-nitrobenzamide
CID 60631710
[1-[4-(hydroxymethyl)-2-nitrophenyl]pyrrolidin-2-yl]methanol
CID 61411135
3-[2-(hydroxymethyl)azepan-1-yl]pyridine-4-carbonitrile
CID 116634705
[1-(5-nitro-1H-pyrazol-4-yl)piperidin-2-yl]methanol
CID 114988278
[1-(6-amino-5-nitro-2-pyridinyl)azepan-2-yl]methanol
CID 116636858
2-fluoro-3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-6-nitrobenzonitrile
CID 171095693
3-[2-(hydroxymethyl)azepan-1-yl]-4-nitrobenzonitrile
CID 116636869
2-[4-(3-nitro-4-pyridinyl)thiomorpholin-3-yl]acetic acid
CID 66444709
[1-(5-bromo-4-fluoro-2-nitrophenyl)piperidin-2-yl]methanol
CID 116739629

Frequently Asked Questions

What is the IUPAC name of [1-(3-nitro-4-pyridinyl)piperidin-2-yl]methanol?
The IUPAC name of [1-(3-nitro-4-pyridinyl)piperidin-2-yl]methanol (CID 61146528) is [1-(3-nitro-4-pyridinyl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(3-nitro-4-pyridinyl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(3-nitro-4-pyridinyl)piperidin-2-yl]methanol is O=[N+]([O-])c1cnccc1N1CCCCC1CO.
What is the InChIKey of [1-(3-nitro-4-pyridinyl)piperidin-2-yl]methanol?
The InChIKey is CRVOMMAPLHXWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-8-9-3-1-2-6-13(9)10-4-5-12-7-11(10)14(16)17/h4-5,7,9,15H,1-3,6,8H2.
What are the key properties of [1-(3-nitro-4-pyridinyl)piperidin-2-yl]methanol?
[1-(3-nitro-4-pyridinyl)piperidin-2-yl]methanol has a molecular weight of 237.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-nitro-4-pyridinyl)piperidin-2-yl]methanol is sourced from PubChem (CID 61146528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).