4-[[2,3,5,6-tetrachloro-4-(morpholin-4-ylmethyl)phenyl]methyl]morpholine

C16H20Cl4N2O2 — CID 3043329

IUPAC4-[[2,3,5,6-tetrachloro-4-(morpholin-4-ylmethyl)phenyl]methyl]morpholine
SMILESClc1c(Cl)c(CN2CCOCC2)c(Cl)c(Cl)c1CN1CCOCC1
InChIInChI=1S/C16H20Cl4N2O2/c17-13-11(9-21-1-5-23-6-2-21)14(18)16(20)12(15(13)19)10-22-3-7-24-8-4-22/h1-10H2
InChIKeyDKKDOKUKTDDOHB-UHFFFAOYSA-N
MW414.16 g/mol
LogP3.96
Rot. Bonds4

About 4-[[2,3,5,6-tetrachloro-4-(morpholin-4-ylmethyl)phenyl]methyl]morpholine

4-[[2,3,5,6-tetrachloro-4-(morpholin-4-ylmethyl)phenyl]methyl]morpholine (PubChem CID 3043329) has the molecular formula C16H20Cl4N2O2 and a molecular weight of 414.16 g/mol. Its IUPAC name is 4-[[2,3,5,6-tetrachloro-4-(morpholin-4-ylmethyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2,3,5,6-tetrachloro-4-(morpholin-4-ylmethyl)phenyl]methyl]morpholine
PubChem CID3043329
Molecular FormulaC16H20Cl4N2O2
Molecular Weight414.16 g/mol
Exact Mass412.03
IUPAC Name4-[[2,3,5,6-tetrachloro-4-(morpholin-4-ylmethyl)phenyl]methyl]morpholine
SMILESClc1c(Cl)c(CN2CCOCC2)c(Cl)c(Cl)c1CN1CCOCC1
InChIInChI=1S/C16H20Cl4N2O2/c17-13-11(9-21-1-5-23-6-2-21)14(18)16(20)12(15(13)19)10-22-3-7-24-8-4-22/h1-10H2
InChIKeyDKKDOKUKTDDOHB-UHFFFAOYSA-N
XLogP3.96
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.16
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-[[2,3,5,6-tetrachloro-4-(morpholin-4-ylmethyl)phenyl]methyl]morpholine with MolForge

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Related Compounds

3,4-dichloro-2-(morpholin-4-ylmethyl)phenol
CID 12823160
3-chloro-2-(1,4-oxazepan-4-ylmethyl)aniline
CID 63745239
4-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]morpholine
CID 155546801
4-[(6-chloropyridazin-3-yl)methyl]morpholine
CID 104513452
4-[(5-chloropyrazin-2-yl)methyl]-1,4-oxazepane
CID 103054257
4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]morpholine
CID 1480828
4-(morpholin-4-ylmethyl)morpholine
CID 21839
6-chloro-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one
CID 730781
7,16-bis[12-(16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)dodecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 10418954
4-[(4-chloro-2,5-difluorophenyl)methyl]morpholine
CID 59543863
10-(anthracen-9-ylmethyl)-1,4,7-trioxa-10-azacyclododecane
CID 101025185
4-(chloromethyl)morpholine;hydrate
CID 175868958

Frequently Asked Questions

What is the IUPAC name of 4-[[2,3,5,6-tetrachloro-4-(morpholin-4-ylmethyl)phenyl]methyl]morpholine?
The IUPAC name of 4-[[2,3,5,6-tetrachloro-4-(morpholin-4-ylmethyl)phenyl]methyl]morpholine (CID 3043329) is 4-[[2,3,5,6-tetrachloro-4-(morpholin-4-ylmethyl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[2,3,5,6-tetrachloro-4-(morpholin-4-ylmethyl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[[2,3,5,6-tetrachloro-4-(morpholin-4-ylmethyl)phenyl]methyl]morpholine is Clc1c(Cl)c(CN2CCOCC2)c(Cl)c(Cl)c1CN1CCOCC1.
What is the InChIKey of 4-[[2,3,5,6-tetrachloro-4-(morpholin-4-ylmethyl)phenyl]methyl]morpholine?
The InChIKey is DKKDOKUKTDDOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl4N2O2/c17-13-11(9-21-1-5-23-6-2-21)14(18)16(20)12(15(13)19)10-22-3-7-24-8-4-22/h1-10H2.
What are the key properties of 4-[[2,3,5,6-tetrachloro-4-(morpholin-4-ylmethyl)phenyl]methyl]morpholine?
4-[[2,3,5,6-tetrachloro-4-(morpholin-4-ylmethyl)phenyl]methyl]morpholine has a molecular weight of 414.16 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,3,5,6-tetrachloro-4-(morpholin-4-ylmethyl)phenyl]methyl]morpholine is sourced from PubChem (CID 3043329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).