4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-3-(1-methylpiperidin-4-yl)-4,5-dihydropyridazine

C22H29N3 — CID 163575310

IUPAC4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-3-(1-methylpiperidin-4-yl)-4,5-dihydropyridazine
SMILESCN1CCC(C2=NN=C(C3=CCCC=C3)CC2C2=CC=CCC2)CC1
InChIInChI=1S/C22H29N3/c1-25-14-12-19(13-15-25)22-20(17-8-4-2-5-9-17)16-21(23-24-22)18-10-6-3-7-11-18/h2,4,6,8,10-11,19-20H,3,5,7,9,12-16H2,1H3
InChIKeyGCXQWOZUMDUKFV-UHFFFAOYSA-N
MW335.50 g/mol
LogP4.70
Rot. Bonds3

About 4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-3-(1-methylpiperidin-4-yl)-4,5-dihydropyridazine

4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-3-(1-methylpiperidin-4-yl)-4,5-dihydropyridazine (PubChem CID 163575310) has the molecular formula C22H29N3 and a molecular weight of 335.50 g/mol. Its IUPAC name is 4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-3-(1-methylpiperidin-4-yl)-4,5-dihydropyridazine.

Molecular Properties

Compound Name4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-3-(1-methylpiperidin-4-yl)-4,5-dihydropyridazine
PubChem CID163575310
Molecular FormulaC22H29N3
Molecular Weight335.50 g/mol
Exact Mass335.24
IUPAC Name4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-3-(1-methylpiperidin-4-yl)-4,5-dihydropyridazine
SMILESCN1CCC(C2=NN=C(C3=CCCC=C3)CC2C2=CC=CCC2)CC1
InChIInChI=1S/C22H29N3/c1-25-14-12-19(13-15-25)22-20(17-8-4-2-5-9-17)16-21(23-24-22)18-10-6-3-7-11-18/h2,4,6,8,10-11,19-20H,3,5,7,9,12-16H2,1H3
InChIKeyGCXQWOZUMDUKFV-UHFFFAOYSA-N
XLogP4.70
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-3-(1-methylpiperidin-4-yl)-4,5-dihydropyridazine with MolForge

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Related Compounds

1-Butyl-1,2,3,4,6,7-hexahydroindolo[2,3-a]quinolizine
CID 20328276
4-Methyl-5-prop-2-enyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene
CID 53778331
7-(1-Methylpiperidin-4-yl)-2,3,4,4a,7,8-hexahydroquinoline
CID 57177279
6-[(4-butylpiperidin-1-yl)methyl]-2H-indole
CID 60064673
N-ethyl-N-methyl-3-[4-(1,7,12-trimethyl-3,4,6,7,10,11-hexahydrocyclodeca[c]pyridin-3-yl)cyclohexa-1,5-dien-1-yl]propan-1-amine
CID 123440338
2-(1,2,2-trimethylpiperidin-4-yl)-6,7-dihydro-3H-indole
CID 166963382
2-N-(3-iminobutan-2-yl)-3-(1-methylpiperidin-4-yl)cyclohexa-3,5-diene-1,2-diimine
CID 166993451
N-methyl-4-[4-[4-(4-methylpiperidin-1-yl)butyl]-2,4a,5,8,9,9a-hexahydro-1H-benzo[7]annulen-7-yl]pent-4-en-2-imine
CID 170213848
(Z)-N-methoxy-6-methylidene-4-[3-(1-methylpiperidin-4-yl)propyl]cyclohexa-2,4-dien-1-imine
CID 142021036
(3E,4Z)-4-ethylidene-2-[1-(4-methylpentyl)piperidin-4-yl]-3-propylidenepyridine
CID 178017909

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-3-(1-methylpiperidin-4-yl)-4,5-dihydropyridazine?
The IUPAC name of 4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-3-(1-methylpiperidin-4-yl)-4,5-dihydropyridazine (CID 163575310) is 4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-3-(1-methylpiperidin-4-yl)-4,5-dihydropyridazine.
What is the SMILES notation for 4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-3-(1-methylpiperidin-4-yl)-4,5-dihydropyridazine?
The canonical SMILES for 4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-3-(1-methylpiperidin-4-yl)-4,5-dihydropyridazine is CN1CCC(C2=NN=C(C3=CCCC=C3)CC2C2=CC=CCC2)CC1.
What is the InChIKey of 4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-3-(1-methylpiperidin-4-yl)-4,5-dihydropyridazine?
The InChIKey is GCXQWOZUMDUKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3/c1-25-14-12-19(13-15-25)22-20(17-8-4-2-5-9-17)16-21(23-24-22)18-10-6-3-7-11-18/h2,4,6,8,10-11,19-20H,3,5,7,9,12-16H2,1H3.
What are the key properties of 4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-3-(1-methylpiperidin-4-yl)-4,5-dihydropyridazine?
4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-3-(1-methylpiperidin-4-yl)-4,5-dihydropyridazine has a molecular weight of 335.50 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-3-(1-methylpiperidin-4-yl)-4,5-dihydropyridazine is sourced from PubChem (CID 163575310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).