3-phenylmethoxy-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazine

C25H29N3O2 — CID 68628671

IUPAC3-phenylmethoxy-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazine
SMILESc1ccc(COc2ccc(-c3ccc(OCCCC4CCCNC4)cc3)nn2)cc1
InChIInChI=1S/C25H29N3O2/c1-2-6-21(7-3-1)19-30-25-15-14-24(27-28-25)22-10-12-23(13-11-22)29-17-5-9-20-8-4-16-26-18-20/h1-3,6-7,10-15,20,26H,4-5,8-9,16-19H2
InChIKeyWIFXXDZLJGLPAH-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.88
Rot. Bonds9

About 3-phenylmethoxy-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazine

3-phenylmethoxy-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazine (PubChem CID 68628671) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 3-phenylmethoxy-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazine.

Molecular Properties

Compound Name3-phenylmethoxy-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazine
PubChem CID68628671
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name3-phenylmethoxy-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazine
SMILESc1ccc(COc2ccc(-c3ccc(OCCCC4CCCNC4)cc3)nn2)cc1
InChIInChI=1S/C25H29N3O2/c1-2-6-21(7-3-1)19-30-25-15-14-24(27-28-25)22-10-12-23(13-11-22)29-17-5-9-20-8-4-16-26-18-20/h1-3,6-7,10-15,20,26H,4-5,8-9,16-19H2
InChIKeyWIFXXDZLJGLPAH-UHFFFAOYSA-N
XLogP4.88
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-phenoxy-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazine
CID 68628460
(3R)-3-(2-phenoxyethyl)piperidine
CID 26192392
(3S)-3-(2-phenylmethoxyethyl)piperidine
CID 26192382
(3R)-3-[2-(4-iodophenoxy)ethyl]piperidine
CID 86321285
2,4-dimethyl-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazin-3-one
CID 68895820
3-[2-(4-methylphenoxy)ethyl]piperidine
CID 45075559
(3S)-3-[(4-phenylphenoxy)methyl]piperidine
CID 42427138
5-(6-chloropyridazin-3-yl)-2-(3-piperidin-3-ylpropoxy)benzonitrile
CID 87522675
3-butylpiperidine;ethane;ethoxybenzene
CID 159556445
6-phenyl-N-(piperidin-3-ylmethyl)pyridazin-3-amine
CID 116971112
3,6-bis(phenylmethoxy)pyridazine
CID 68982842
3-methyl-1-[4-(3-piperidin-3-ylpropoxy)phenyl]-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyridazin-4-one
CID 68898917

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazine?
The IUPAC name of 3-phenylmethoxy-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazine (CID 68628671) is 3-phenylmethoxy-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazine.
What is the SMILES notation for 3-phenylmethoxy-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazine?
The canonical SMILES for 3-phenylmethoxy-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazine is c1ccc(COc2ccc(-c3ccc(OCCCC4CCCNC4)cc3)nn2)cc1.
What is the InChIKey of 3-phenylmethoxy-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazine?
The InChIKey is WIFXXDZLJGLPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-2-6-21(7-3-1)19-30-25-15-14-24(27-28-25)22-10-12-23(13-11-22)29-17-5-9-20-8-4-16-26-18-20/h1-3,6-7,10-15,20,26H,4-5,8-9,16-19H2.
What are the key properties of 3-phenylmethoxy-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazine?
3-phenylmethoxy-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazine has a molecular weight of 403.53 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazine is sourced from PubChem (CID 68628671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).