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

C13H19N3O3 — CID 83271881

IUPAC2-[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-3-yl]ethanol
SMILESCc1cnc(N2CCCC(CCO)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-10-8-14-13(7-12(10)16(18)19)15-5-2-3-11(9-15)4-6-17/h7-8,11,17H,2-6,9H2,1H3
InChIKeyNZKBEUCLQJQXRP-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.90
Rot. Bonds4

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

2-[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-3-yl]ethanol (PubChem CID 83271881) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-3-yl]ethanol
PubChem CID83271881
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-3-yl]ethanol
SMILESCc1cnc(N2CCCC(CCO)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-10-8-14-13(7-12(10)16(18)19)15-5-2-3-11(9-15)4-6-17/h7-8,11,17H,2-6,9H2,1H3
InChIKeyNZKBEUCLQJQXRP-UHFFFAOYSA-N
XLogP1.90
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.90
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-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol
CID 79176830
2-[1-(4-methyl-3-nitrophenyl)piperidin-3-yl]ethanol
CID 62912136
[1-(5-methyl-4-nitro-2-pyridinyl)azetidin-3-yl]methanol
CID 83271569
3-[1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol
CID 83271926
2-[1-(3-nitro-4-pyridinyl)piperidin-3-yl]ethanol
CID 62358308
2-[1-(2-methyl-3-nitrophenyl)piperidin-3-yl]ethanol
CID 63077968
2-[1-(3-nitro-2-pyridinyl)piperidin-3-yl]ethanol
CID 55064569
5-chloro-2-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 107227689
1-(4-methyl-5-nitro-2-pyridinyl)piperidine-3-carboxylic acid
CID 79174111
2-[1-(5-amino-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol
CID 114796912
[1-(4-methyl-3-nitrophenyl)piperidin-3-yl]methanol
CID 62910419
[1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanamine
CID 79177007

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-3-yl]ethanol (CID 83271881) is 2-[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-3-yl]ethanol is Cc1cnc(N2CCCC(CCO)C2)cc1[N+](=O)[O-].
What is the InChIKey of 2-[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-3-yl]ethanol?
The InChIKey is NZKBEUCLQJQXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-10-8-14-13(7-12(10)16(18)19)15-5-2-3-11(9-15)4-6-17/h7-8,11,17H,2-6,9H2,1H3.
What are the key properties of 2-[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-3-yl]ethanol?
2-[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-3-yl]ethanol has a molecular weight of 265.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-3-yl]ethanol is sourced from PubChem (CID 83271881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).