4-[(4-chlorophenyl)-morpholin-4-ylmethyl]morpholine

C15H21ClN2O2 — CID 710520

IUPAC4-[(4-chlorophenyl)-morpholin-4-ylmethyl]morpholine
SMILESClc1ccc(C(N2CCOCC2)N2CCOCC2)cc1
InChIInChI=1S/C15H21ClN2O2/c16-14-3-1-13(2-4-14)15(17-5-9-19-10-6-17)18-7-11-20-12-8-18/h1-4,15H,5-12H2
InChIKeyDAAKLUBLMJLRRF-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.00
Rot. Bonds3

About 4-[(4-chlorophenyl)-morpholin-4-ylmethyl]morpholine

4-[(4-chlorophenyl)-morpholin-4-ylmethyl]morpholine (PubChem CID 710520) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-morpholin-4-ylmethyl]morpholine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-morpholin-4-ylmethyl]morpholine
PubChem CID710520
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name4-[(4-chlorophenyl)-morpholin-4-ylmethyl]morpholine
SMILESClc1ccc(C(N2CCOCC2)N2CCOCC2)cc1
InChIInChI=1S/C15H21ClN2O2/c16-14-3-1-13(2-4-14)15(17-5-9-19-10-6-17)18-7-11-20-12-8-18/h1-4,15H,5-12H2
InChIKeyDAAKLUBLMJLRRF-UHFFFAOYSA-N
XLogP2.00
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)-morpholin-4-ylmethyl]morpholine?
The IUPAC name of 4-[(4-chlorophenyl)-morpholin-4-ylmethyl]morpholine (CID 710520) is 4-[(4-chlorophenyl)-morpholin-4-ylmethyl]morpholine.
What is the SMILES notation for 4-[(4-chlorophenyl)-morpholin-4-ylmethyl]morpholine?
The canonical SMILES for 4-[(4-chlorophenyl)-morpholin-4-ylmethyl]morpholine is Clc1ccc(C(N2CCOCC2)N2CCOCC2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)-morpholin-4-ylmethyl]morpholine?
The InChIKey is DAAKLUBLMJLRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c16-14-3-1-13(2-4-14)15(17-5-9-19-10-6-17)18-7-11-20-12-8-18/h1-4,15H,5-12H2.
What are the key properties of 4-[(4-chlorophenyl)-morpholin-4-ylmethyl]morpholine?
4-[(4-chlorophenyl)-morpholin-4-ylmethyl]morpholine has a molecular weight of 296.80 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)-morpholin-4-ylmethyl]morpholine is sourced from PubChem (CID 710520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).