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

C24H27N3O2 — CID 68628460

IUPAC3-phenoxy-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazine
SMILESc1ccc(Oc2ccc(-c3ccc(OCCCC4CCCNC4)cc3)nn2)cc1
InChIInChI=1S/C24H27N3O2/c1-2-8-22(9-3-1)29-24-15-14-23(26-27-24)20-10-12-21(13-11-20)28-17-5-7-19-6-4-16-25-18-19/h1-3,8-15,19,25H,4-7,16-18H2
InChIKeyVPLQDRSXUXMVLQ-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.09
Rot. Bonds8

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

3-phenoxy-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazine (PubChem CID 68628460) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-phenoxy-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazine.

Molecular Properties

Compound Name3-phenoxy-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazine
PubChem CID68628460
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name3-phenoxy-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazine
SMILESc1ccc(Oc2ccc(-c3ccc(OCCCC4CCCNC4)cc3)nn2)cc1
InChIInChI=1S/C24H27N3O2/c1-2-8-22(9-3-1)29-24-15-14-23(26-27-24)20-10-12-21(13-11-20)28-17-5-7-19-6-4-16-25-18-19/h1-3,8-15,19,25H,4-7,16-18H2
InChIKeyVPLQDRSXUXMVLQ-UHFFFAOYSA-N
XLogP5.09
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.09
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-phenylmethoxy-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazine
CID 68628671
(3R)-3-(2-phenoxyethyl)piperidine
CID 26192392
2,4-dimethyl-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazin-3-one
CID 68895820
(3R)-3-[2-(4-iodophenoxy)ethyl]piperidine
CID 86321285
3-butylpiperidine;ethane;ethoxybenzene
CID 159556445
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
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
2-[3-[(3R)-piperidin-3-yl]propoxy]pyrazine
CID 97178299
6-phenyl-N-(piperidin-3-ylmethyl)pyridazin-3-amine
CID 116971112
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-phenoxy-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazine?
The IUPAC name of 3-phenoxy-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazine (CID 68628460) is 3-phenoxy-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazine.
What is the SMILES notation for 3-phenoxy-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazine?
The canonical SMILES for 3-phenoxy-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazine is c1ccc(Oc2ccc(-c3ccc(OCCCC4CCCNC4)cc3)nn2)cc1.
What is the InChIKey of 3-phenoxy-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazine?
The InChIKey is VPLQDRSXUXMVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-2-8-22(9-3-1)29-24-15-14-23(26-27-24)20-10-12-21(13-11-20)28-17-5-7-19-6-4-16-25-18-19/h1-3,8-15,19,25H,4-7,16-18H2.
What are the key properties of 3-phenoxy-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazine?
3-phenoxy-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazine has a molecular weight of 389.50 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazine is sourced from PubChem (CID 68628460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).