1-[2-methoxy-4-[1-(3-methoxy-4-piperidin-1-ylphenyl)buta-1,3-dienyl]phenyl]piperidine

C28H36N2O2 — CID 21292688

IUPAC1-[2-methoxy-4-[1-(3-methoxy-4-piperidin-1-ylphenyl)buta-1,3-dienyl]phenyl]piperidine
SMILESC=CC=C(c1ccc(N2CCCCC2)c(OC)c1)c1ccc(N2CCCCC2)c(OC)c1
InChIInChI=1S/C28H36N2O2/c1-4-11-24(22-12-14-25(27(20-22)31-2)29-16-7-5-8-17-29)23-13-15-26(28(21-23)32-3)30-18-9-6-10-19-30/h4,11-15,20-21H,1,5-10,16-19H2,2-3H3
InChIKeyXTUPWFRDXNZAEY-UHFFFAOYSA-N
MW432.61 g/mol
LogP6.30
Rot. Bonds7

About 1-[2-methoxy-4-[1-(3-methoxy-4-piperidin-1-ylphenyl)buta-1,3-dienyl]phenyl]piperidine

1-[2-methoxy-4-[1-(3-methoxy-4-piperidin-1-ylphenyl)buta-1,3-dienyl]phenyl]piperidine (PubChem CID 21292688) has the molecular formula C28H36N2O2 and a molecular weight of 432.61 g/mol. Its IUPAC name is 1-[2-methoxy-4-[1-(3-methoxy-4-piperidin-1-ylphenyl)buta-1,3-dienyl]phenyl]piperidine.

Molecular Properties

Compound Name1-[2-methoxy-4-[1-(3-methoxy-4-piperidin-1-ylphenyl)buta-1,3-dienyl]phenyl]piperidine
PubChem CID21292688
Molecular FormulaC28H36N2O2
Molecular Weight432.61 g/mol
Exact Mass432.28
IUPAC Name1-[2-methoxy-4-[1-(3-methoxy-4-piperidin-1-ylphenyl)buta-1,3-dienyl]phenyl]piperidine
SMILESC=CC=C(c1ccc(N2CCCCC2)c(OC)c1)c1ccc(N2CCCCC2)c(OC)c1
InChIInChI=1S/C28H36N2O2/c1-4-11-24(22-12-14-25(27(20-22)31-2)29-16-7-5-8-17-29)23-13-15-26(28(21-23)32-3)30-18-9-6-10-19-30/h4,11-15,20-21H,1,5-10,16-19H2,2-3H3
InChIKeyXTUPWFRDXNZAEY-UHFFFAOYSA-N
XLogP6.30
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.61
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-[2-methoxy-4-[1-(3-methoxy-4-piperidin-1-ylphenyl)buta-1,3-dienyl]phenyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-methyl-4-[1-(3-methyl-4-pyrrolidin-1-ylphenyl)buta-1,3-dienyl]phenyl]pyrrolidine
CID 21292588
1-(2-methoxy-4-propoxyphenyl)pyrrolidine
CID 144603099
2,6-dimethoxy-3-piperidin-1-ylphenol
CID 177031782
1-(3-methoxy-2-prop-2-enylphenyl)piperidine
CID 101476464
2-(3-methoxy-4-piperidin-1-ylanilino)ethene-1,1,2-tricarbonitrile
CID 168607889
dimethyl (E)-2-(3-methoxy-4-piperidin-1-ylanilino)but-2-enedioate
CID 168569840
N-[[4-(azepan-1-yl)-3-methoxyphenyl]methyl]cyclopropanamine
CID 84754178
N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]cyclopropanamine
CID 84754664
N-[[4-(azepan-1-yl)-3-methoxyphenyl]methyl]propan-1-amine
CID 84754166
4,5-dimethoxy-2-piperidin-1-ylaniline
CID 616846
3-(3-methoxy-4-pyrrolidin-1-ylphenyl)propan-1-amine
CID 170867943
2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propanoic acid
CID 117473385

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-4-[1-(3-methoxy-4-piperidin-1-ylphenyl)buta-1,3-dienyl]phenyl]piperidine?
The IUPAC name of 1-[2-methoxy-4-[1-(3-methoxy-4-piperidin-1-ylphenyl)buta-1,3-dienyl]phenyl]piperidine (CID 21292688) is 1-[2-methoxy-4-[1-(3-methoxy-4-piperidin-1-ylphenyl)buta-1,3-dienyl]phenyl]piperidine.
What is the SMILES notation for 1-[2-methoxy-4-[1-(3-methoxy-4-piperidin-1-ylphenyl)buta-1,3-dienyl]phenyl]piperidine?
The canonical SMILES for 1-[2-methoxy-4-[1-(3-methoxy-4-piperidin-1-ylphenyl)buta-1,3-dienyl]phenyl]piperidine is C=CC=C(c1ccc(N2CCCCC2)c(OC)c1)c1ccc(N2CCCCC2)c(OC)c1.
What is the InChIKey of 1-[2-methoxy-4-[1-(3-methoxy-4-piperidin-1-ylphenyl)buta-1,3-dienyl]phenyl]piperidine?
The InChIKey is XTUPWFRDXNZAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O2/c1-4-11-24(22-12-14-25(27(20-22)31-2)29-16-7-5-8-17-29)23-13-15-26(28(21-23)32-3)30-18-9-6-10-19-30/h4,11-15,20-21H,1,5-10,16-19H2,2-3H3.
What are the key properties of 1-[2-methoxy-4-[1-(3-methoxy-4-piperidin-1-ylphenyl)buta-1,3-dienyl]phenyl]piperidine?
1-[2-methoxy-4-[1-(3-methoxy-4-piperidin-1-ylphenyl)buta-1,3-dienyl]phenyl]piperidine has a molecular weight of 432.61 g/mol, XLogP of 6.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-4-[1-(3-methoxy-4-piperidin-1-ylphenyl)buta-1,3-dienyl]phenyl]piperidine is sourced from PubChem (CID 21292688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).