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

C18H23ClN6O — CID 10619455

IUPAC4-[4-(4-benzylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]morpholine
SMILESClc1nc(N2CCOCC2)nc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C18H23ClN6O/c19-16-20-17(22-18(21-16)25-10-12-26-13-11-25)24-8-6-23(7-9-24)14-15-4-2-1-3-5-15/h1-5H,6-14H2
InChIKeyORODWTPXYCFFRP-UHFFFAOYSA-N
MW374.88 g/mol
LogP1.68
Rot. Bonds4

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

4-[4-(4-benzylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]morpholine (PubChem CID 10619455) has the molecular formula C18H23ClN6O and a molecular weight of 374.88 g/mol. Its IUPAC name is 4-[4-(4-benzylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-benzylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]morpholine
PubChem CID10619455
Molecular FormulaC18H23ClN6O
Molecular Weight374.88 g/mol
Exact Mass374.16
IUPAC Name4-[4-(4-benzylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]morpholine
SMILESClc1nc(N2CCOCC2)nc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C18H23ClN6O/c19-16-20-17(22-18(21-16)25-10-12-26-13-11-25)24-8-6-23(7-9-24)14-15-4-2-1-3-5-15/h1-5H,6-14H2
InChIKeyORODWTPXYCFFRP-UHFFFAOYSA-N
XLogP1.68
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.88
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

2-(4-benzylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine
CID 60726999
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793
4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886571
4-(4-benzylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine
CID 71598389
2-(4-benzylpiperazin-1-yl)-6-chloropyrimidin-4-amine
CID 86161525
2,4-dichloro-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine
CID 62859583
4-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine
CID 45133473
4-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 75450338
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-amine
CID 15050995
2-[[4-(2,6-dimorpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]phenol
CID 51041576
4-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 146074434

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-benzylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-(4-benzylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]morpholine (CID 10619455) is 4-[4-(4-benzylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(4-benzylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-(4-benzylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]morpholine is Clc1nc(N2CCOCC2)nc(N2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 4-[4-(4-benzylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]morpholine?
The InChIKey is ORODWTPXYCFFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O/c19-16-20-17(22-18(21-16)25-10-12-26-13-11-25)24-8-6-23(7-9-24)14-15-4-2-1-3-5-15/h1-5H,6-14H2.
What are the key properties of 4-[4-(4-benzylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]morpholine?
4-[4-(4-benzylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]morpholine has a molecular weight of 374.88 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-benzylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 10619455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).