4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine

C29H38N8O3 — CID 10076145

IUPAC4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
SMILESCOc1ccc(N2CCN(c3nc(N4CCOCC4)nc(N4CCN(c5ccc(OC)cc5)CC4)n3)CC2)cc1
InChIInChI=1S/C29H38N8O3/c1-38-25-7-3-23(4-8-25)33-11-15-35(16-12-33)27-30-28(32-29(31-27)37-19-21-40-22-20-37)36-17-13-34(14-18-36)24-5-9-26(39-2)10-6-24/h3-10H,11-22H2,1-2H3
InChIKeyCLXLGFKIDLTYKE-UHFFFAOYSA-N
MW546.68 g/mol
LogP2.38
Rot. Bonds7

About 4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine

4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine (PubChem CID 10076145) has the molecular formula C29H38N8O3 and a molecular weight of 546.68 g/mol. Its IUPAC name is 4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
PubChem CID10076145
Molecular FormulaC29H38N8O3
Molecular Weight546.68 g/mol
Exact Mass546.31
IUPAC Name4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
SMILESCOc1ccc(N2CCN(c3nc(N4CCOCC4)nc(N4CCN(c5ccc(OC)cc5)CC4)n3)CC2)cc1
InChIInChI=1S/C29H38N8O3/c1-38-25-7-3-23(4-8-25)33-11-15-35(16-12-33)27-30-28(32-29(31-27)37-19-21-40-22-20-37)36-17-13-34(14-18-36)24-5-9-26(39-2)10-6-24/h3-10H,11-22H2,1-2H3
InChIKeyCLXLGFKIDLTYKE-UHFFFAOYSA-N
XLogP2.38
TPSA82.56 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.68
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230
4-(azepan-1-yl)-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 39847912
2-N-(4-chlorophenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 42477743
2-N,2-N,4-N,4-N-tetraethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine
CID 4296013
4-[1-(4-methoxyphenyl)benzimidazol-5-yl]morpholine
CID 164852088
1-(4-methoxyphenyl)piperidine
CID 10130315
2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580364
15-(4-methoxyphenyl)-2,5,12,18-tetraoxa-15-azatricyclo[17.4.0.06,11]tricosa-1(23),6,8,10,19,21-hexaene
CID 101382430
2-[(R)-[2-(4-methoxyanilino)-2-oxoethyl]sulfinyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 51686054
[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184633
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone
CID 51210361

Frequently Asked Questions

What is the IUPAC name of 4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine (CID 10076145) is 4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine is COc1ccc(N2CCN(c3nc(N4CCOCC4)nc(N4CCN(c5ccc(OC)cc5)CC4)n3)CC2)cc1.
What is the InChIKey of 4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine?
The InChIKey is CLXLGFKIDLTYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N8O3/c1-38-25-7-3-23(4-8-25)33-11-15-35(16-12-33)27-30-28(32-29(31-27)37-19-21-40-22-20-37)36-17-13-34(14-18-36)24-5-9-26(39-2)10-6-24/h3-10H,11-22H2,1-2H3.
What are the key properties of 4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine?
4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine has a molecular weight of 546.68 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 10076145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).