6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propan-2-yl-4,5-dihydro-3H-pyridazine

C21H33N3O — CID 141200350

IUPAC6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propan-2-yl-4,5-dihydro-3H-pyridazine
SMILESCC(C)N1CCCC(c2ccc(OCCCN3CCCCC3)cc2)=N1
InChIInChI=1S/C21H33N3O/c1-18(2)24-16-6-8-21(22-24)19-9-11-20(12-10-19)25-17-7-15-23-13-4-3-5-14-23/h9-12,18H,3-8,13-17H2,1-2H3
InChIKeyBALMOAZRIFADRA-UHFFFAOYSA-N
MW343.51 g/mol
LogP4.15
Rot. Bonds7

About 6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propan-2-yl-4,5-dihydro-3H-pyridazine

6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propan-2-yl-4,5-dihydro-3H-pyridazine (PubChem CID 141200350) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is 6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propan-2-yl-4,5-dihydro-3H-pyridazine.

Molecular Properties

Compound Name6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propan-2-yl-4,5-dihydro-3H-pyridazine
PubChem CID141200350
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC Name6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propan-2-yl-4,5-dihydro-3H-pyridazine
SMILESCC(C)N1CCCC(c2ccc(OCCCN3CCCCC3)cc2)=N1
InChIInChI=1S/C21H33N3O/c1-18(2)24-16-6-8-21(22-24)19-9-11-20(12-10-19)25-17-7-15-23-13-4-3-5-14-23/h9-12,18H,3-8,13-17H2,1-2H3
InChIKeyBALMOAZRIFADRA-UHFFFAOYSA-N
XLogP4.15
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine
CID 11978855
oxalic acid;6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine
CID 23150757
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
1-[3-(4-propylphenoxy)propyl]azepane
CID 91586553
1-[3-(4-butan-2-ylphenoxy)propyl]piperidine;methane
CID 161298234
3,4-dimethyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]quinoline
CID 145305813
4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-amine
CID 61493668
2-piperidin-1-yl-N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethanamine
CID 10269848
4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,2,3,6-tetrahydropyridine
CID 69137569
4,4-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-1,3-oxazole
CID 11702447
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propan-2-yl-4,5-dihydro-3H-pyridazine?
The IUPAC name of 6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propan-2-yl-4,5-dihydro-3H-pyridazine (CID 141200350) is 6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propan-2-yl-4,5-dihydro-3H-pyridazine.
What is the SMILES notation for 6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propan-2-yl-4,5-dihydro-3H-pyridazine?
The canonical SMILES for 6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propan-2-yl-4,5-dihydro-3H-pyridazine is CC(C)N1CCCC(c2ccc(OCCCN3CCCCC3)cc2)=N1.
What is the InChIKey of 6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propan-2-yl-4,5-dihydro-3H-pyridazine?
The InChIKey is BALMOAZRIFADRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-18(2)24-16-6-8-21(22-24)19-9-11-20(12-10-19)25-17-7-15-23-13-4-3-5-14-23/h9-12,18H,3-8,13-17H2,1-2H3.
What are the key properties of 6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propan-2-yl-4,5-dihydro-3H-pyridazine?
6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propan-2-yl-4,5-dihydro-3H-pyridazine has a molecular weight of 343.51 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propan-2-yl-4,5-dihydro-3H-pyridazine is sourced from PubChem (CID 141200350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).