1-(6-nitro-3-pyridinyl)-4-(trifluoromethyl)piperidin-4-ol

C11H12F3N3O3 — CID 142494258

IUPAC1-(6-nitro-3-pyridinyl)-4-(trifluoromethyl)piperidin-4-ol
SMILESO=[N+]([O-])c1ccc(N2CCC(O)(C(F)(F)F)CC2)cn1
InChIInChI=1S/C11H12F3N3O3/c12-11(13,14)10(18)3-5-16(6-4-10)8-1-2-9(15-7-8)17(19)20/h1-2,7,18H,3-6H2
InChIKeySQMUNGDZWCCWLK-UHFFFAOYSA-N
MW291.23 g/mol
LogP1.88
Rot. Bonds2

About 1-(6-nitro-3-pyridinyl)-4-(trifluoromethyl)piperidin-4-ol

1-(6-nitro-3-pyridinyl)-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 142494258) has the molecular formula C11H12F3N3O3 and a molecular weight of 291.23 g/mol. Its IUPAC name is 1-(6-nitro-3-pyridinyl)-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(6-nitro-3-pyridinyl)-4-(trifluoromethyl)piperidin-4-ol
PubChem CID142494258
Molecular FormulaC11H12F3N3O3
Molecular Weight291.23 g/mol
Exact Mass291.08
IUPAC Name1-(6-nitro-3-pyridinyl)-4-(trifluoromethyl)piperidin-4-ol
SMILESO=[N+]([O-])c1ccc(N2CCC(O)(C(F)(F)F)CC2)cn1
InChIInChI=1S/C11H12F3N3O3/c12-11(13,14)10(18)3-5-16(6-4-10)8-1-2-9(15-7-8)17(19)20/h1-2,7,18H,3-6H2
InChIKeySQMUNGDZWCCWLK-UHFFFAOYSA-N
XLogP1.88
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 51.88
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-(6-nitro-3-pyridinyl)-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-(6-nitro-3-pyridinyl)-4-(trifluoromethyl)piperidin-4-ol (CID 142494258) is 1-(6-nitro-3-pyridinyl)-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-(6-nitro-3-pyridinyl)-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-(6-nitro-3-pyridinyl)-4-(trifluoromethyl)piperidin-4-ol is O=[N+]([O-])c1ccc(N2CCC(O)(C(F)(F)F)CC2)cn1.
What is the InChIKey of 1-(6-nitro-3-pyridinyl)-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is SQMUNGDZWCCWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O3/c12-11(13,14)10(18)3-5-16(6-4-10)8-1-2-9(15-7-8)17(19)20/h1-2,7,18H,3-6H2.
What are the key properties of 1-(6-nitro-3-pyridinyl)-4-(trifluoromethyl)piperidin-4-ol?
1-(6-nitro-3-pyridinyl)-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 291.23 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-nitro-3-pyridinyl)-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 142494258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).