1-[(5-nitrothiophen-3-yl)methyl]piperidin-3-ol

C10H14N2O3S — CID 110899702

IUPAC1-[(5-nitrothiophen-3-yl)methyl]piperidin-3-ol
SMILESO=[N+]([O-])c1cc(CN2CCCC(O)C2)cs1
InChIInChI=1S/C10H14N2O3S/c13-9-2-1-3-11(6-9)5-8-4-10(12(14)15)16-7-8/h4,7,9,13H,1-3,5-6H2
InChIKeyBUUROGUZKCHEFT-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.61
Rot. Bonds3

About 1-[(5-nitrothiophen-3-yl)methyl]piperidin-3-ol

1-[(5-nitrothiophen-3-yl)methyl]piperidin-3-ol (PubChem CID 110899702) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 1-[(5-nitrothiophen-3-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(5-nitrothiophen-3-yl)methyl]piperidin-3-ol
PubChem CID110899702
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name1-[(5-nitrothiophen-3-yl)methyl]piperidin-3-ol
SMILESO=[N+]([O-])c1cc(CN2CCCC(O)C2)cs1
InChIInChI=1S/C10H14N2O3S/c13-9-2-1-3-11(6-9)5-8-4-10(12(14)15)16-7-8/h4,7,9,13H,1-3,5-6H2
InChIKeyBUUROGUZKCHEFT-UHFFFAOYSA-N
XLogP1.61
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.61
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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Frequently Asked Questions

What is the IUPAC name of 1-[(5-nitrothiophen-3-yl)methyl]piperidin-3-ol?
The IUPAC name of 1-[(5-nitrothiophen-3-yl)methyl]piperidin-3-ol (CID 110899702) is 1-[(5-nitrothiophen-3-yl)methyl]piperidin-3-ol.
What is the SMILES notation for 1-[(5-nitrothiophen-3-yl)methyl]piperidin-3-ol?
The canonical SMILES for 1-[(5-nitrothiophen-3-yl)methyl]piperidin-3-ol is O=[N+]([O-])c1cc(CN2CCCC(O)C2)cs1.
What is the InChIKey of 1-[(5-nitrothiophen-3-yl)methyl]piperidin-3-ol?
The InChIKey is BUUROGUZKCHEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c13-9-2-1-3-11(6-9)5-8-4-10(12(14)15)16-7-8/h4,7,9,13H,1-3,5-6H2.
What are the key properties of 1-[(5-nitrothiophen-3-yl)methyl]piperidin-3-ol?
1-[(5-nitrothiophen-3-yl)methyl]piperidin-3-ol has a molecular weight of 242.30 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-nitrothiophen-3-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 110899702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).