[4-(3-methoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine

C11H16F3N5O — CID 102972022

IUPAC[4-(3-methoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESCOC1CCCN(c2cc(C(F)(F)F)nc(NN)n2)C1
InChIInChI=1S/C11H16F3N5O/c1-20-7-3-2-4-19(6-7)9-5-8(11(12,13)14)16-10(17-9)18-15/h5,7H,2-4,6,15H2,1H3,(H,16,17,18)
InChIKeyVLIPUJFOTYRLIE-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.40
Rot. Bonds3

About [4-(3-methoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine

[4-(3-methoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (PubChem CID 102972022) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is [4-(3-methoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3-methoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
PubChem CID102972022
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC Name[4-(3-methoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESCOC1CCCN(c2cc(C(F)(F)F)nc(NN)n2)C1
InChIInChI=1S/C11H16F3N5O/c1-20-7-3-2-4-19(6-7)9-5-8(11(12,13)14)16-10(17-9)18-15/h5,7H,2-4,6,15H2,1H3,(H,16,17,18)
InChIKeyVLIPUJFOTYRLIE-UHFFFAOYSA-N
XLogP1.40
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 [4-(3-methoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(3-methoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (CID 102972022) is [4-(3-methoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(3-methoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(3-methoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is COC1CCCN(c2cc(C(F)(F)F)nc(NN)n2)C1.
What is the InChIKey of [4-(3-methoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The InChIKey is VLIPUJFOTYRLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c1-20-7-3-2-4-19(6-7)9-5-8(11(12,13)14)16-10(17-9)18-15/h5,7H,2-4,6,15H2,1H3,(H,16,17,18).
What are the key properties of [4-(3-methoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
[4-(3-methoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine has a molecular weight of 291.28 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 102972022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).