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

C12H17N3O3 — CID 55064569

IUPAC2-[1-(3-nitro-2-pyridinyl)piperidin-3-yl]ethanol
SMILESO=[N+]([O-])c1cccnc1N1CCCC(CCO)C1
InChIInChI=1S/C12H17N3O3/c16-8-5-10-3-2-7-14(9-10)12-11(15(17)18)4-1-6-13-12/h1,4,6,10,16H,2-3,5,7-9H2
InChIKeyKVCJZRCCTWBTLF-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.59
Rot. Bonds4

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

2-[1-(3-nitro-2-pyridinyl)piperidin-3-yl]ethanol (PubChem CID 55064569) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[1-(3-nitro-2-pyridinyl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-nitro-2-pyridinyl)piperidin-3-yl]ethanol
PubChem CID55064569
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[1-(3-nitro-2-pyridinyl)piperidin-3-yl]ethanol
SMILESO=[N+]([O-])c1cccnc1N1CCCC(CCO)C1
InChIInChI=1S/C12H17N3O3/c16-8-5-10-3-2-7-14(9-10)12-11(15(17)18)4-1-6-13-12/h1,4,6,10,16H,2-3,5,7-9H2
InChIKeyKVCJZRCCTWBTLF-UHFFFAOYSA-N
XLogP1.59
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.59
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-(3-nitro-4-pyridinyl)piperidin-3-yl]ethanol
CID 62358308
2-[1-(2-methyl-3-nitrophenyl)piperidin-3-yl]ethanol
CID 63077968
2-(3-ethoxypiperidin-1-yl)-3-nitropyridine
CID 133274264
2-[1-(3-ethoxy-2-pyridinyl)piperidin-3-yl]ethanol
CID 113371177
1-(3-nitro-2-pyridinyl)-N-phenylpiperidin-3-amine
CID 133363140
2-[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-3-yl]ethanol
CID 83271881
3-nitro-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyridine
CID 86784826
morpholin-4-yl-[(3R)-1-(3-nitro-2-pyridinyl)piperidin-3-yl]methanone
CID 51532486
2-[1-(4-methyl-3-nitrophenyl)piperidin-3-yl]ethanol
CID 62912136
2-[4-(3-nitro-2-pyridinyl)-1,4-diazepan-1-yl]acetic acid
CID 62823957
[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-3-yl]methanol
CID 81137665
2-[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 114802883

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-nitro-2-pyridinyl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(3-nitro-2-pyridinyl)piperidin-3-yl]ethanol (CID 55064569) is 2-[1-(3-nitro-2-pyridinyl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(3-nitro-2-pyridinyl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(3-nitro-2-pyridinyl)piperidin-3-yl]ethanol is O=[N+]([O-])c1cccnc1N1CCCC(CCO)C1.
What is the InChIKey of 2-[1-(3-nitro-2-pyridinyl)piperidin-3-yl]ethanol?
The InChIKey is KVCJZRCCTWBTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-8-5-10-3-2-7-14(9-10)12-11(15(17)18)4-1-6-13-12/h1,4,6,10,16H,2-3,5,7-9H2.
What are the key properties of 2-[1-(3-nitro-2-pyridinyl)piperidin-3-yl]ethanol?
2-[1-(3-nitro-2-pyridinyl)piperidin-3-yl]ethanol has a molecular weight of 251.29 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-nitro-2-pyridinyl)piperidin-3-yl]ethanol is sourced from PubChem (CID 55064569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).