4-[2-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine

C17H26ClN3O — CID 83977807

IUPAC4-[2-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine
SMILESCC1CN(C(CN2CCOCC2)c2cccc(Cl)c2)CCN1
InChIInChI=1S/C17H26ClN3O/c1-14-12-21(6-5-19-14)17(13-20-7-9-22-10-8-20)15-3-2-4-16(18)11-15/h2-4,11,14,17,19H,5-10,12-13H2,1H3
InChIKeyFEJJSEYNGOERAV-UHFFFAOYSA-N
MW323.87 g/mol
LogP2.01
Rot. Bonds4

About 4-[2-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine

4-[2-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine (PubChem CID 83977807) has the molecular formula C17H26ClN3O and a molecular weight of 323.87 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine
PubChem CID83977807
Molecular FormulaC17H26ClN3O
Molecular Weight323.87 g/mol
Exact Mass323.18
IUPAC Name4-[2-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine
SMILESCC1CN(C(CN2CCOCC2)c2cccc(Cl)c2)CCN1
InChIInChI=1S/C17H26ClN3O/c1-14-12-21(6-5-19-14)17(13-20-7-9-22-10-8-20)15-3-2-4-16(18)11-15/h2-4,11,14,17,19H,5-10,12-13H2,1H3
InChIKeyFEJJSEYNGOERAV-UHFFFAOYSA-N
XLogP2.01
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methylpiperazine
CID 83977826
4-[2-(3,4-dimethoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine
CID 112539497
2-chloro-4-[1-(3-methylpiperazin-1-yl)-2-pyrrolidin-1-ylethyl]phenol
CID 83979668
1-[(1S)-1-(3-chlorophenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine
CID 129365376
1-[1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine
CID 83978178
1-[1-(4-chlorophenyl)propyl]-3-methylpiperazine
CID 65418511
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]propan-2-amine
CID 58948569
2-(3-chlorophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine
CID 63171639
1-[1-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine
CID 83978531
1-[2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol
CID 83978195
(2S,3R)-N-[(2S)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyloxolan-3-amine
CID 100906281
(3R)-3-(3-chlorophenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189010

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine (CID 83977807) is 4-[2-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine is CC1CN(C(CN2CCOCC2)c2cccc(Cl)c2)CCN1.
What is the InChIKey of 4-[2-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine?
The InChIKey is FEJJSEYNGOERAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O/c1-14-12-21(6-5-19-14)17(13-20-7-9-22-10-8-20)15-3-2-4-16(18)11-15/h2-4,11,14,17,19H,5-10,12-13H2,1H3.
What are the key properties of 4-[2-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine?
4-[2-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine has a molecular weight of 323.87 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine is sourced from PubChem (CID 83977807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).