1-(5-nitro-2-pyridinyl)-4-phenylpiperidin-4-ol

C16H17N3O3 — CID 57461794

IUPAC1-(5-nitro-2-pyridinyl)-4-phenylpiperidin-4-ol
SMILESO=[N+]([O-])c1ccc(N2CCC(O)(c3ccccc3)CC2)nc1
InChIInChI=1S/C16H17N3O3/c20-16(13-4-2-1-3-5-13)8-10-18(11-9-16)15-7-6-14(12-17-15)19(21)22/h1-7,12,20H,8-11H2
InChIKeyKWNUQJILMQJIJH-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.48
Rot. Bonds3

About 1-(5-nitro-2-pyridinyl)-4-phenylpiperidin-4-ol

1-(5-nitro-2-pyridinyl)-4-phenylpiperidin-4-ol (PubChem CID 57461794) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-(5-nitro-2-pyridinyl)-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name1-(5-nitro-2-pyridinyl)-4-phenylpiperidin-4-ol
PubChem CID57461794
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name1-(5-nitro-2-pyridinyl)-4-phenylpiperidin-4-ol
SMILESO=[N+]([O-])c1ccc(N2CCC(O)(c3ccccc3)CC2)nc1
InChIInChI=1S/C16H17N3O3/c20-16(13-4-2-1-3-5-13)8-10-18(11-9-16)15-7-6-14(12-17-15)19(21)22/h1-7,12,20H,8-11H2
InChIKeyKWNUQJILMQJIJH-UHFFFAOYSA-N
XLogP2.48
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.48
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-nitro-2-pyridinyl)-4-phenylpiperidin-4-ol?
The IUPAC name of 1-(5-nitro-2-pyridinyl)-4-phenylpiperidin-4-ol (CID 57461794) is 1-(5-nitro-2-pyridinyl)-4-phenylpiperidin-4-ol.
What is the SMILES notation for 1-(5-nitro-2-pyridinyl)-4-phenylpiperidin-4-ol?
The canonical SMILES for 1-(5-nitro-2-pyridinyl)-4-phenylpiperidin-4-ol is O=[N+]([O-])c1ccc(N2CCC(O)(c3ccccc3)CC2)nc1.
What is the InChIKey of 1-(5-nitro-2-pyridinyl)-4-phenylpiperidin-4-ol?
The InChIKey is KWNUQJILMQJIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-16(13-4-2-1-3-5-13)8-10-18(11-9-16)15-7-6-14(12-17-15)19(21)22/h1-7,12,20H,8-11H2.
What are the key properties of 1-(5-nitro-2-pyridinyl)-4-phenylpiperidin-4-ol?
1-(5-nitro-2-pyridinyl)-4-phenylpiperidin-4-ol has a molecular weight of 299.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-nitro-2-pyridinyl)-4-phenylpiperidin-4-ol is sourced from PubChem (CID 57461794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).