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

C19H31N3O3 — CID 112539497

IUPAC4-[2-(3,4-dimethoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine
SMILESCOc1ccc(C(CN2CCOCC2)N2CCNC(C)C2)cc1OC
InChIInChI=1S/C19H31N3O3/c1-15-13-22(7-6-20-15)17(14-21-8-10-25-11-9-21)16-4-5-18(23-2)19(12-16)24-3/h4-5,12,15,17,20H,6-11,13-14H2,1-3H3
InChIKeyQSJWDVHAIYXAEG-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.37
Rot. Bonds6

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

4-[2-(3,4-dimethoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine (PubChem CID 112539497) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-[2-(3,4-dimethoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(3,4-dimethoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine
PubChem CID112539497
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name4-[2-(3,4-dimethoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine
SMILESCOc1ccc(C(CN2CCOCC2)N2CCNC(C)C2)cc1OC
InChIInChI=1S/C19H31N3O3/c1-15-13-22(7-6-20-15)17(14-21-8-10-25-11-9-21)16-4-5-18(23-2)19(12-16)24-3/h4-5,12,15,17,20H,6-11,13-14H2,1-3H3
InChIKeyQSJWDVHAIYXAEG-UHFFFAOYSA-N
XLogP1.37
TPSA46.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine
CID 83977807
1-[2-(4-hydroxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol
CID 112539976
2-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83978280
2-(4-methoxy-3-propan-2-yloxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol
CID 83979559
2-(4-ethoxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol
CID 83979284
1-[1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]piperazine
CID 83978283
2-(4-ethoxy-3-methoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83979287
1-[2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine
CID 112539500
2-chloro-4-[1-(3-methylpiperazin-1-yl)-2-pyrrolidin-1-ylethyl]phenol
CID 83979668
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
1-[1-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methylpiperazine
CID 83977826

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(3,4-dimethoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine (CID 112539497) is 4-[2-(3,4-dimethoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(3,4-dimethoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(3,4-dimethoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine is COc1ccc(C(CN2CCOCC2)N2CCNC(C)C2)cc1OC.
What is the InChIKey of 4-[2-(3,4-dimethoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine?
The InChIKey is QSJWDVHAIYXAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-15-13-22(7-6-20-15)17(14-21-8-10-25-11-9-21)16-4-5-18(23-2)19(12-16)24-3/h4-5,12,15,17,20H,6-11,13-14H2,1-3H3.
What are the key properties of 4-[2-(3,4-dimethoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine?
4-[2-(3,4-dimethoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine has a molecular weight of 349.48 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine is sourced from PubChem (CID 112539497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).