[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-3-yl]methanol

C12H17N3O3 — CID 81137665

IUPAC[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-3-yl]methanol
SMILESCc1ccc([N+](=O)[O-])c(N2CCCC(CO)C2)n1
InChIInChI=1S/C12H17N3O3/c1-9-4-5-11(15(17)18)12(13-9)14-6-2-3-10(7-14)8-16/h4-5,10,16H,2-3,6-8H2,1H3
InChIKeyRXZOBZFNJMSQGK-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.51
Rot. Bonds3

About [1-(6-methyl-3-nitro-2-pyridinyl)piperidin-3-yl]methanol

[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-3-yl]methanol (PubChem CID 81137665) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is [1-(6-methyl-3-nitro-2-pyridinyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-3-yl]methanol
PubChem CID81137665
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-3-yl]methanol
SMILESCc1ccc([N+](=O)[O-])c(N2CCCC(CO)C2)n1
InChIInChI=1S/C12H17N3O3/c1-9-4-5-11(15(17)18)12(13-9)14-6-2-3-10(7-14)8-16/h4-5,10,16H,2-3,6-8H2,1H3
InChIKeyRXZOBZFNJMSQGK-UHFFFAOYSA-N
XLogP1.51
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.51
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

3-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-3-yl]propanoic acid
CID 81141690
[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-4-yl]methanamine
CID 81135913
6-methyl-3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine
CID 86795055
2,6-bis[(3S)-3-(methoxymethyl)piperidin-1-yl]-3-nitropyridine
CID 99794916
[1-(4-methyl-3-nitrophenyl)piperidin-3-yl]methanol
CID 62910419
4-(hydroxymethyl)-1-(6-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-one
CID 168662648
3,5-dimethyl-1-(6-methyl-3-nitro-2-pyridinyl)piperazine
CID 81132745
[(3R)-1-(2-nitrophenyl)piperidin-3-yl]methanol
CID 33291102
[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-3-yl]methanamine
CID 115323231
[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol
CID 79176830
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanol
CID 61313722
2-[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 114802883

Frequently Asked Questions

What is the IUPAC name of [1-(6-methyl-3-nitro-2-pyridinyl)piperidin-3-yl]methanol?
The IUPAC name of [1-(6-methyl-3-nitro-2-pyridinyl)piperidin-3-yl]methanol (CID 81137665) is [1-(6-methyl-3-nitro-2-pyridinyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(6-methyl-3-nitro-2-pyridinyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(6-methyl-3-nitro-2-pyridinyl)piperidin-3-yl]methanol is Cc1ccc([N+](=O)[O-])c(N2CCCC(CO)C2)n1.
What is the InChIKey of [1-(6-methyl-3-nitro-2-pyridinyl)piperidin-3-yl]methanol?
The InChIKey is RXZOBZFNJMSQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-9-4-5-11(15(17)18)12(13-9)14-6-2-3-10(7-14)8-16/h4-5,10,16H,2-3,6-8H2,1H3.
What are the key properties of [1-(6-methyl-3-nitro-2-pyridinyl)piperidin-3-yl]methanol?
[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-3-yl]methanol has a molecular weight of 251.29 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methyl-3-nitro-2-pyridinyl)piperidin-3-yl]methanol is sourced from PubChem (CID 81137665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).