4-(6-methoxy-2-pyridinyl)-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol

C26H29N3O2 — CID 136666322

IUPAC4-(6-methoxy-2-pyridinyl)-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol
SMILESCOc1cccc(-c2ccc(O)c(CN3CCN(CC=Cc4ccccc4)CC3)c2)n1
InChIInChI=1S/C26H29N3O2/c1-31-26-11-5-10-24(27-26)22-12-13-25(30)23(19-22)20-29-17-15-28(16-18-29)14-6-9-21-7-3-2-4-8-21/h2-13,19,30H,14-18,20H2,1H3
InChIKeyFDYKWWUHOSWGRY-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.29
Rot. Bonds7

About 4-(6-methoxy-2-pyridinyl)-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol

4-(6-methoxy-2-pyridinyl)-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol (PubChem CID 136666322) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 4-(6-methoxy-2-pyridinyl)-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-(6-methoxy-2-pyridinyl)-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol
PubChem CID136666322
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name4-(6-methoxy-2-pyridinyl)-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol
SMILESCOc1cccc(-c2ccc(O)c(CN3CCN(CC=Cc4ccccc4)CC3)c2)n1
InChIInChI=1S/C26H29N3O2/c1-31-26-11-5-10-24(27-26)22-12-13-25(30)23(19-22)20-29-17-15-28(16-18-29)14-6-9-21-7-3-2-4-8-21/h2-13,19,30H,14-18,20H2,1H3
InChIKeyFDYKWWUHOSWGRY-UHFFFAOYSA-N
XLogP4.29
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol
CID 782278
5-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-8-ol
CID 4269194
1-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]naphthalen-2-ol
CID 2213235
1-[(2-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1377377
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 1376874
2-[[cyclohexyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
CID 135971341
2-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
CID 135971339
1-[(3-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1376911
methyl 3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzoate
CID 8544540
[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6038045
1-[(2,3-dichlorophenyl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine
CID 92904353
1-[(2,4-difluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 2838695

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-2-pyridinyl)-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol?
The IUPAC name of 4-(6-methoxy-2-pyridinyl)-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol (CID 136666322) is 4-(6-methoxy-2-pyridinyl)-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 4-(6-methoxy-2-pyridinyl)-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol?
The canonical SMILES for 4-(6-methoxy-2-pyridinyl)-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol is COc1cccc(-c2ccc(O)c(CN3CCN(CC=Cc4ccccc4)CC3)c2)n1.
What is the InChIKey of 4-(6-methoxy-2-pyridinyl)-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol?
The InChIKey is FDYKWWUHOSWGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-31-26-11-5-10-24(27-26)22-12-13-25(30)23(19-22)20-29-17-15-28(16-18-29)14-6-9-21-7-3-2-4-8-21/h2-13,19,30H,14-18,20H2,1H3.
What are the key properties of 4-(6-methoxy-2-pyridinyl)-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol?
4-(6-methoxy-2-pyridinyl)-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol has a molecular weight of 415.54 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-2-pyridinyl)-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 136666322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).