1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol

C12H22N6O2 — CID 102971915

IUPAC1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
SMILESCCCOc1nc(NN)nc(N2CCC(C)C(O)C2)n1
InChIInChI=1S/C12H22N6O2/c1-3-6-20-12-15-10(17-13)14-11(16-12)18-5-4-8(2)9(19)7-18/h8-9,19H,3-7,13H2,1-2H3,(H,14,15,16,17)
InChIKeyWLEUKISOHCBNDN-UHFFFAOYSA-N
MW282.35 g/mol
LogP0.15
Rot. Bonds5

About 1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol

1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol (PubChem CID 102971915) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
PubChem CID102971915
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
SMILESCCCOc1nc(NN)nc(N2CCC(C)C(O)C2)n1
InChIInChI=1S/C12H22N6O2/c1-3-6-20-12-15-10(17-13)14-11(16-12)18-5-4-8(2)9(19)7-18/h8-9,19H,3-7,13H2,1-2H3,(H,14,15,16,17)
InChIKeyWLEUKISOHCBNDN-UHFFFAOYSA-N
XLogP0.15
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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 1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol?
The IUPAC name of 1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol (CID 102971915) is 1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol?
The canonical SMILES for 1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol is CCCOc1nc(NN)nc(N2CCC(C)C(O)C2)n1.
What is the InChIKey of 1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol?
The InChIKey is WLEUKISOHCBNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-3-6-20-12-15-10(17-13)14-11(16-12)18-5-4-8(2)9(19)7-18/h8-9,19H,3-7,13H2,1-2H3,(H,14,15,16,17).
What are the key properties of 1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol?
1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol has a molecular weight of 282.35 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol is sourced from PubChem (CID 102971915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).