3-[4-(diethoxymethyl)piperidin-1-yl]pyridazine

C14H23N3O2 — CID 54135028

IUPAC3-[4-(diethoxymethyl)piperidin-1-yl]pyridazine
SMILESCCOC(OCC)C1CCN(c2cccnn2)CC1
InChIInChI=1S/C14H23N3O2/c1-3-18-14(19-4-2)12-7-10-17(11-8-12)13-6-5-9-15-16-13/h5-6,9,12,14H,3-4,7-8,10-11H2,1-2H3
InChIKeyNGJXRZJQURKGNP-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.09
Rot. Bonds6

About 3-[4-(diethoxymethyl)piperidin-1-yl]pyridazine

3-[4-(diethoxymethyl)piperidin-1-yl]pyridazine (PubChem CID 54135028) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[4-(diethoxymethyl)piperidin-1-yl]pyridazine.

Molecular Properties

Compound Name3-[4-(diethoxymethyl)piperidin-1-yl]pyridazine
PubChem CID54135028
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-[4-(diethoxymethyl)piperidin-1-yl]pyridazine
SMILESCCOC(OCC)C1CCN(c2cccnn2)CC1
InChIInChI=1S/C14H23N3O2/c1-3-18-14(19-4-2)12-7-10-17(11-8-12)13-6-5-9-15-16-13/h5-6,9,12,14H,3-4,7-8,10-11H2,1-2H3
InChIKeyNGJXRZJQURKGNP-UHFFFAOYSA-N
XLogP2.09
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethoxymethyl)piperidin-1-yl]pyridazine?
The IUPAC name of 3-[4-(diethoxymethyl)piperidin-1-yl]pyridazine (CID 54135028) is 3-[4-(diethoxymethyl)piperidin-1-yl]pyridazine.
What is the SMILES notation for 3-[4-(diethoxymethyl)piperidin-1-yl]pyridazine?
The canonical SMILES for 3-[4-(diethoxymethyl)piperidin-1-yl]pyridazine is CCOC(OCC)C1CCN(c2cccnn2)CC1.
What is the InChIKey of 3-[4-(diethoxymethyl)piperidin-1-yl]pyridazine?
The InChIKey is NGJXRZJQURKGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-18-14(19-4-2)12-7-10-17(11-8-12)13-6-5-9-15-16-13/h5-6,9,12,14H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 3-[4-(diethoxymethyl)piperidin-1-yl]pyridazine?
3-[4-(diethoxymethyl)piperidin-1-yl]pyridazine has a molecular weight of 265.36 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethoxymethyl)piperidin-1-yl]pyridazine is sourced from PubChem (CID 54135028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).