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

C18H23ClN6O2 — CID 1146267

IUPAC4-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
SMILESCOc1ccc(N2CCN(c3nc(Cl)nc(N4CCOCC4)n3)CC2)cc1
InChIInChI=1S/C18H23ClN6O2/c1-26-15-4-2-14(3-5-15)23-6-8-24(9-7-23)17-20-16(19)21-18(22-17)25-10-12-27-13-11-25/h2-5H,6-13H2,1H3
InChIKeyTYSAQWKWYDBYJE-UHFFFAOYSA-N
MW390.88 g/mol
LogP1.70
Rot. Bonds4

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

4-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine (PubChem CID 1146267) has the molecular formula C18H23ClN6O2 and a molecular weight of 390.88 g/mol. Its IUPAC name is 4-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
PubChem CID1146267
Molecular FormulaC18H23ClN6O2
Molecular Weight390.88 g/mol
Exact Mass390.16
IUPAC Name4-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
SMILESCOc1ccc(N2CCN(c3nc(Cl)nc(N4CCOCC4)n3)CC2)cc1
InChIInChI=1S/C18H23ClN6O2/c1-26-15-4-2-14(3-5-15)23-6-8-24(9-7-23)17-20-16(19)21-18(22-17)25-10-12-27-13-11-25/h2-5H,6-13H2,1H3
InChIKeyTYSAQWKWYDBYJE-UHFFFAOYSA-N
XLogP1.70
TPSA66.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.88
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine (CID 1146267) is 4-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine is COc1ccc(N2CCN(c3nc(Cl)nc(N4CCOCC4)n3)CC2)cc1.
What is the InChIKey of 4-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine?
The InChIKey is TYSAQWKWYDBYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O2/c1-26-15-4-2-14(3-5-15)23-6-8-24(9-7-23)17-20-16(19)21-18(22-17)25-10-12-27-13-11-25/h2-5H,6-13H2,1H3.
What are the key properties of 4-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine?
4-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine has a molecular weight of 390.88 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 1146267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).