[6-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine

C12H17F3N4O — CID 102720443

IUPAC[6-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESCOC1CCN(c2cc(C(F)(F)F)cc(NN)n2)CC1
InChIInChI=1S/C12H17F3N4O/c1-20-9-2-4-19(5-3-9)11-7-8(12(13,14)15)6-10(17-11)18-16/h6-7,9H,2-5,16H2,1H3,(H,17,18)
InChIKeyNTSIHSGWDPOUID-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.00
Rot. Bonds3

About [6-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine

[6-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine (PubChem CID 102720443) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is [6-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
PubChem CID102720443
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name[6-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESCOC1CCN(c2cc(C(F)(F)F)cc(NN)n2)CC1
InChIInChI=1S/C12H17F3N4O/c1-20-9-2-4-19(5-3-9)11-7-8(12(13,14)15)6-10(17-11)18-16/h6-7,9H,2-5,16H2,1H3,(H,17,18)
InChIKeyNTSIHSGWDPOUID-UHFFFAOYSA-N
XLogP2.00
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 [6-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The IUPAC name of [6-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine (CID 102720443) is [6-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The canonical SMILES for [6-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine is COC1CCN(c2cc(C(F)(F)F)cc(NN)n2)CC1.
What is the InChIKey of [6-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The InChIKey is NTSIHSGWDPOUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-20-9-2-4-19(5-3-9)11-7-8(12(13,14)15)6-10(17-11)18-16/h6-7,9H,2-5,16H2,1H3,(H,17,18).
What are the key properties of [6-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
[6-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine has a molecular weight of 290.29 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 102720443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).