3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]propanehydrazide

C10H18F3N3O2 — CID 103229730

IUPAC3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]propanehydrazide
SMILESCOCC(C(=O)NN)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3O2/c1-18-6-8(9(17)15-14)16-4-2-7(3-5-16)10(11,12)13/h7-8H,2-6,14H2,1H3,(H,15,17)
InChIKeySCUGNHLCUHMRBS-UHFFFAOYSA-N
MW269.27 g/mol
LogP0.27
Rot. Bonds4

About 3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]propanehydrazide

3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]propanehydrazide (PubChem CID 103229730) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is 3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]propanehydrazide.

Molecular Properties

Compound Name3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]propanehydrazide
PubChem CID103229730
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC Name3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]propanehydrazide
SMILESCOCC(C(=O)NN)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3O2/c1-18-6-8(9(17)15-14)16-4-2-7(3-5-16)10(11,12)13/h7-8H,2-6,14H2,1H3,(H,15,17)
InChIKeySCUGNHLCUHMRBS-UHFFFAOYSA-N
XLogP0.27
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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 3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]propanehydrazide?
The IUPAC name of 3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]propanehydrazide (CID 103229730) is 3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]propanehydrazide.
What is the SMILES notation for 3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]propanehydrazide?
The canonical SMILES for 3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]propanehydrazide is COCC(C(=O)NN)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]propanehydrazide?
The InChIKey is SCUGNHLCUHMRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c1-18-6-8(9(17)15-14)16-4-2-7(3-5-16)10(11,12)13/h7-8H,2-6,14H2,1H3,(H,15,17).
What are the key properties of 3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]propanehydrazide?
3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]propanehydrazide has a molecular weight of 269.27 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]propanehydrazide is sourced from PubChem (CID 103229730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).