4-[3-(1-pyridazin-3-ylpiperidin-4-yl)propoxy]benzaldehyde

C19H23N3O2 — CID 152770235

IUPAC4-[3-(1-pyridazin-3-ylpiperidin-4-yl)propoxy]benzaldehyde
SMILESO=Cc1ccc(OCCCC2CCN(c3cccnn3)CC2)cc1
InChIInChI=1S/C19H23N3O2/c23-15-17-5-7-18(8-6-17)24-14-2-3-16-9-12-22(13-10-16)19-4-1-11-20-21-19/h1,4-8,11,15-16H,2-3,9-10,12-14H2
InChIKeyYEIKGQLFQSEEAD-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.36
Rot. Bonds7

About 4-[3-(1-pyridazin-3-ylpiperidin-4-yl)propoxy]benzaldehyde

4-[3-(1-pyridazin-3-ylpiperidin-4-yl)propoxy]benzaldehyde (PubChem CID 152770235) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[3-(1-pyridazin-3-ylpiperidin-4-yl)propoxy]benzaldehyde.

Molecular Properties

Compound Name4-[3-(1-pyridazin-3-ylpiperidin-4-yl)propoxy]benzaldehyde
PubChem CID152770235
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-[3-(1-pyridazin-3-ylpiperidin-4-yl)propoxy]benzaldehyde
SMILESO=Cc1ccc(OCCCC2CCN(c3cccnn3)CC2)cc1
InChIInChI=1S/C19H23N3O2/c23-15-17-5-7-18(8-6-17)24-14-2-3-16-9-12-22(13-10-16)19-4-1-11-20-21-19/h1,4-8,11,15-16H,2-3,9-10,12-14H2
InChIKeyYEIKGQLFQSEEAD-UHFFFAOYSA-N
XLogP3.36
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-N-ethoxy-1-[4-[2-(1-pyridazin-3-ylpiperidin-4-yl)ethoxy]phenyl]methanimine
CID 11820871
3-[4-(chloromethyl)piperidin-1-yl]pyridazine
CID 63390374
N-methyl-N-(1-pyridazin-3-ylpiperidin-4-yl)formamide
CID 121338355
[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]methanol
CID 130626069
4-[3-[1-(5-tert-butyl-2-pyridinyl)piperidin-4-yl]propoxy]-2-methylbenzaldehyde
CID 143923505
6-(4-propylpiperidin-1-yl)pyridine-3-carbaldehyde
CID 80632070
4-[4-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]phenyl]benzaldehyde
CID 54189358
4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]benzaldehyde
CID 57106797
4-[[(2S)-1-pyridin-2-ylpyrrolidin-2-yl]methoxy]benzaldehyde
CID 11129755
3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060928
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-pyridazin-3-ylpiperidin-4-yl)propoxy]benzaldehyde?
The IUPAC name of 4-[3-(1-pyridazin-3-ylpiperidin-4-yl)propoxy]benzaldehyde (CID 152770235) is 4-[3-(1-pyridazin-3-ylpiperidin-4-yl)propoxy]benzaldehyde.
What is the SMILES notation for 4-[3-(1-pyridazin-3-ylpiperidin-4-yl)propoxy]benzaldehyde?
The canonical SMILES for 4-[3-(1-pyridazin-3-ylpiperidin-4-yl)propoxy]benzaldehyde is O=Cc1ccc(OCCCC2CCN(c3cccnn3)CC2)cc1.
What is the InChIKey of 4-[3-(1-pyridazin-3-ylpiperidin-4-yl)propoxy]benzaldehyde?
The InChIKey is YEIKGQLFQSEEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-15-17-5-7-18(8-6-17)24-14-2-3-16-9-12-22(13-10-16)19-4-1-11-20-21-19/h1,4-8,11,15-16H,2-3,9-10,12-14H2.
What are the key properties of 4-[3-(1-pyridazin-3-ylpiperidin-4-yl)propoxy]benzaldehyde?
4-[3-(1-pyridazin-3-ylpiperidin-4-yl)propoxy]benzaldehyde has a molecular weight of 325.41 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-pyridazin-3-ylpiperidin-4-yl)propoxy]benzaldehyde is sourced from PubChem (CID 152770235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).