2-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine

C19H33N3O2 — CID 83978280

IUPAC2-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine
SMILESCCN(CC)CC(c1ccc(OC)c(OC)c1)N1CCNC(C)C1
InChIInChI=1S/C19H33N3O2/c1-6-21(7-2)14-17(22-11-10-20-15(3)13-22)16-8-9-18(23-4)19(12-16)24-5/h8-9,12,15,17,20H,6-7,10-11,13-14H2,1-5H3
InChIKeyYIIRWRFJBBNUQZ-UHFFFAOYSA-N
MW335.49 g/mol
LogP2.38
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine

2-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine (PubChem CID 83978280) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine
PubChem CID83978280
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name2-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine
SMILESCCN(CC)CC(c1ccc(OC)c(OC)c1)N1CCNC(C)C1
InChIInChI=1S/C19H33N3O2/c1-6-21(7-2)14-17(22-11-10-20-15(3)13-22)16-8-9-18(23-4)19(12-16)24-5/h8-9,12,15,17,20H,6-7,10-11,13-14H2,1-5H3
InChIKeyYIIRWRFJBBNUQZ-UHFFFAOYSA-N
XLogP2.38
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxy-3-methoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83979287
2-(3,4-dichlorophenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83978693
2-(4-ethoxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol
CID 83979284
4-[2-(3,4-dimethoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine
CID 112539497
2-(4-methoxy-3-propan-2-yloxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol
CID 83979559
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171273417
1-[2-(4-hydroxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol
CID 112539976
1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171308662
2-(4-butoxy-3-ethoxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol
CID 83979609
1-[1-(4-chlorophenyl)propyl]-3-methylpiperazine
CID 65418511
4-[2-(dimethylamino)-1-(3-methylpiperazin-1-yl)ethyl]-N,N-dimethylaniline
CID 83977901
2-(4-tert-butylphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83978630

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine (CID 83978280) is 2-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine is CCN(CC)CC(c1ccc(OC)c(OC)c1)N1CCNC(C)C1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine?
The InChIKey is YIIRWRFJBBNUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-6-21(7-2)14-17(22-11-10-20-15(3)13-22)16-8-9-18(23-4)19(12-16)24-5/h8-9,12,15,17,20H,6-7,10-11,13-14H2,1-5H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine?
2-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine has a molecular weight of 335.49 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 83978280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).