4-[4-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)phenyl]morpholine

C21H26ClN3O — CID 67227304

IUPAC4-[4-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)phenyl]morpholine
SMILESClc1ccc(-c2ccc(N3CCOCC3)cc2CN2CCNCC2)cc1
InChIInChI=1S/C21H26ClN3O/c22-19-3-1-17(2-4-19)21-6-5-20(25-11-13-26-14-12-25)15-18(21)16-24-9-7-23-8-10-24/h1-6,15,23H,7-14,16H2
InChIKeyRCEPTOXQNVJSOD-UHFFFAOYSA-N
MW371.91 g/mol
LogP3.25
Rot. Bonds4

About 4-[4-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)phenyl]morpholine

4-[4-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)phenyl]morpholine (PubChem CID 67227304) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)phenyl]morpholine
PubChem CID67227304
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC Name4-[4-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)phenyl]morpholine
SMILESClc1ccc(-c2ccc(N3CCOCC3)cc2CN2CCNCC2)cc1
InChIInChI=1S/C21H26ClN3O/c22-19-3-1-17(2-4-19)21-6-5-20(25-11-13-26-14-12-25)15-18(21)16-24-9-7-23-8-10-24/h1-6,15,23H,7-14,16H2
InChIKeyRCEPTOXQNVJSOD-UHFFFAOYSA-N
XLogP3.25
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)phenyl]morpholine?
The IUPAC name of 4-[4-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)phenyl]morpholine (CID 67227304) is 4-[4-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)phenyl]morpholine.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)phenyl]morpholine?
The canonical SMILES for 4-[4-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)phenyl]morpholine is Clc1ccc(-c2ccc(N3CCOCC3)cc2CN2CCNCC2)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)phenyl]morpholine?
The InChIKey is RCEPTOXQNVJSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O/c22-19-3-1-17(2-4-19)21-6-5-20(25-11-13-26-14-12-25)15-18(21)16-24-9-7-23-8-10-24/h1-6,15,23H,7-14,16H2.
What are the key properties of 4-[4-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)phenyl]morpholine?
4-[4-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)phenyl]morpholine has a molecular weight of 371.91 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)phenyl]morpholine is sourced from PubChem (CID 67227304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).