[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol

C12H17N3O3 — CID 79176830

IUPAC[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol
SMILESCc1cc(N2CCCC(CO)C2)ncc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O3/c1-9-5-12(13-6-11(9)15(17)18)14-4-2-3-10(7-14)8-16/h5-6,10,16H,2-4,7-8H2,1H3
InChIKeyUDXHGMWIVYZEEM-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.51
Rot. Bonds3

About [1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol

[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol (PubChem CID 79176830) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is [1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol
PubChem CID79176830
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol
SMILESCc1cc(N2CCCC(CO)C2)ncc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O3/c1-9-5-12(13-6-11(9)15(17)18)14-4-2-3-10(7-14)8-16/h5-6,10,16H,2-4,7-8H2,1H3
InChIKeyUDXHGMWIVYZEEM-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

2-[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-3-yl]ethanol
CID 83271881
1-(4-methyl-5-nitro-2-pyridinyl)piperidine-3-carboxylic acid
CID 79174111
[1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanamine
CID 79177007
[1-(5-amino-4-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 79172728
[1-(5-methyl-4-nitro-2-pyridinyl)azetidin-3-yl]methanol
CID 83271569
[1-(5-nitro-2-pyridinyl)piperidin-3-yl]methanol
CID 2859766
1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 79173009
[1-(4-methyl-3-nitrophenyl)piperidin-3-yl]methanol
CID 62910419
(2S)-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964915
2-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 133402902
(3R)-N-ethyl-N-methyl-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-amine
CID 99791620
(1-methylimidazol-2-yl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol
CID 133384407

Frequently Asked Questions

What is the IUPAC name of [1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol?
The IUPAC name of [1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol (CID 79176830) is [1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol is Cc1cc(N2CCCC(CO)C2)ncc1[N+](=O)[O-].
What is the InChIKey of [1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol?
The InChIKey is UDXHGMWIVYZEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-9-5-12(13-6-11(9)15(17)18)14-4-2-3-10(7-14)8-16/h5-6,10,16H,2-4,7-8H2,1H3.
What are the key properties of [1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol?
[1-(4-methyl-5-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-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol is sourced from PubChem (CID 79176830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).